Responsive image

Common name

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

IUPAC name

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

SMILES

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

Common name

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

IUPAC name

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

SMILES

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

INCHI

InChI=1S/C4H12NO2S/c1-3-5(4-2)8(6)7/h6-7H,3-4H2,1-2H3

FORMULA

C4H12NO2S

Responsive image

Common name

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

IUPAC name

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





Molecular weight

138.209

clogP

-2.301

clogS

0.264

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

43.7

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01679 Quinagolide Responsive image Genito Urinary System and Sex Hormones; Prolactine Inhibitors;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3m9f_ligand_4_457.mol2 3m9f 1 -5.82 O[S](N(CC)CC)O 8
4lyw_ligand_2_9.mol2 4lyw 1 -5.17 C(C)N([S](O)O)CC 8
5d1s_ligand_1_1.mol2 5d1s 0.928571 -5.81 N([S](O)O)(C)CC 7
4pks_ligand_2_6.mol2 4pks 0.928571 -5.67 CN(CC)[S](O)O 7
4pkt_ligand_2_4.mol2 4pkt 0.928571 -5.63 CN(CC)[S](O)O 7
4pkv_ligand_2_8.mol2 4pkv 0.928571 -5.62 N([S](O)O)(C)CC 7
4pkr_ligand_2_4.mol2 4pkr 0.928571 -5.58 N([S](O)O)(CC)C 7
4pku_ligand_2_4.mol2 4pku 0.928571 -5.57 CN([S](O)O)CC 7
145 , 15