ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide

C7H17NO2S — CID 145429935

IUPACethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
SMILESCC.CC(=O)NCC(S)CO
InChIInChI=1S/C5H11NO2S.C2H6/c1-4(8)6-2-5(9)3-7;1-2/h5,7,9H,2-3H2,1H3,(H,6,8);1-2H3
InChIKeyMGTCGYKHKZMSKM-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.44
Rot. Bonds3

About ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide

ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide (PubChem CID 145429935) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
PubChem CID145429935
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Nameethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
SMILESCC.CC(=O)NCC(S)CO
InChIInChI=1S/C5H11NO2S.C2H6/c1-4(8)6-2-5(9)3-7;1-2/h5,7,9H,2-3H2,1H3,(H,6,8);1-2H3
InChIKeyMGTCGYKHKZMSKM-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide 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

N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429936
N-(2-amino-2-sulfanylethyl)acetamide
CID 175821750
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate
CID 172994049
N-(2-hydroxy-1-sulfanylethyl)acetamide
CID 147296695
(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid
CID 175370345
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
CID 123622831
N-(bromomethyl)acetamide
CID 22970413
N-ethylacetamide;hydrochloride
CID 87177071
CID 88764909
CID 88764909

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide?
The IUPAC name of ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide (CID 145429935) is ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide.
What is the SMILES notation for ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide?
The canonical SMILES for ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide is CC.CC(=O)NCC(S)CO.
What is the InChIKey of ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide?
The InChIKey is MGTCGYKHKZMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C2H6/c1-4(8)6-2-5(9)3-7;1-2/h5,7,9H,2-3H2,1H3,(H,6,8);1-2H3.
What are the key properties of ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide?
ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide has a molecular weight of 179.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide is sourced from PubChem (CID 145429935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).