Responsive image

Common name

N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine

IUPAC name

N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine

SMILES

[S](O)(O)N(CC)C

Common name

N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine

IUPAC name

N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine

SMILES

[S](O)(O)N(CC)C

INCHI

InChI=1S/C3H10NO2S/c1-3-4(2)7(5)6/h5-6H,3H2,1-2H3

FORMULA

C3H10NO2S

Responsive image

Common name

N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine

IUPAC name

N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine





Molecular weight

124.182

clogP

-2.564

clogS

0.684

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

43.7

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01127 Fosamprenavir Responsive image Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
5d1s_ligand_1_1.mol2 5d1s 1 -5.81 N([S](O)O)(C)CC 7
4pks_ligand_2_6.mol2 4pks 1 -5.67 CN(CC)[S](O)O 7
4pkt_ligand_2_4.mol2 4pkt 1 -5.63 CN(CC)[S](O)O 7
4pkv_ligand_2_8.mol2 4pkv 1 -5.62 N([S](O)O)(C)CC 7
4pkr_ligand_2_4.mol2 4pkr 1 -5.58 N([S](O)O)(CC)C 7
4pku_ligand_2_4.mol2 4pku 1 -5.57 CN([S](O)O)CC 7
3n2u_ligand_3_52.mol2 3n2u 1 -5.54 [S](N(CC)C)(O)O 7
5d1t_ligand_2_6.mol2 5d1t 1 -5.54 CN(CC)[S](O)O 7
145 , 15