2-[benzyl(sulfanyl)amino]ethanol

C9H13NOS — CID 88997173

IUPAC2-[benzyl(sulfanyl)amino]ethanol
SMILESOCCN(S)Cc1ccccc1
InChIInChI=1S/C9H13NOS/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyQTAVPVGBKJXEJM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.33
Rot. Bonds4

About 2-[benzyl(sulfanyl)amino]ethanol

2-[benzyl(sulfanyl)amino]ethanol (PubChem CID 88997173) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-[benzyl(sulfanyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(sulfanyl)amino]ethanol
PubChem CID88997173
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-[benzyl(sulfanyl)amino]ethanol
SMILESOCCN(S)Cc1ccccc1
InChIInChI=1S/C9H13NOS/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyQTAVPVGBKJXEJM-UHFFFAOYSA-N
XLogP1.33
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[benzyl(sulfanyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;N,N-dibenzylthiohydroxylamine;hydride;platinum
CID 173162264
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(sulfanyl)amino]ethanol?
The IUPAC name of 2-[benzyl(sulfanyl)amino]ethanol (CID 88997173) is 2-[benzyl(sulfanyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(sulfanyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(sulfanyl)amino]ethanol is OCCN(S)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(sulfanyl)amino]ethanol?
The InChIKey is QTAVPVGBKJXEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5,11-12H,6-8H2.
What are the key properties of 2-[benzyl(sulfanyl)amino]ethanol?
2-[benzyl(sulfanyl)amino]ethanol has a molecular weight of 183.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(sulfanyl)amino]ethanol is sourced from PubChem (CID 88997173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).