N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide

C5H11NO2S — CID 15942607

IUPACN-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)CS
InChIInChI=1S/C5H11NO2S/c1-4(8)6-5(2-7)3-9/h5,7,9H,2-3H2,1H3,(H,6,8)/t5-/m0/s1
InChIKeyCISFGZJLDPSEET-YFKPBYRVSA-N
MW149.22 g/mol
LogP-0.59
Rot. Bonds3

About N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide

N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide (PubChem CID 15942607) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide
PubChem CID15942607
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)CS
InChIInChI=1S/C5H11NO2S/c1-4(8)6-5(2-7)3-9/h5,7,9H,2-3H2,1H3,(H,6,8)/t5-/m0/s1
InChIKeyCISFGZJLDPSEET-YFKPBYRVSA-N
XLogP-0.59
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide (CID 15942607) is N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide is CC(=O)N[C@@H](CO)CS.
What is the InChIKey of N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide?
The InChIKey is CISFGZJLDPSEET-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4(8)6-5(2-7)3-9/h5,7,9H,2-3H2,1H3,(H,6,8)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide?
N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide has a molecular weight of 149.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 15942607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).