N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C7H15NO2S — CID 103798922

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(C)=O
InChIInChI=1S/C7H15NO2S/c1-5(8-6(2)10)7(4-9)11-3/h5,7,9H,4H2,1-3H3,(H,8,10)
InChIKeyXMHVPNMAGVHXCF-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.23
Rot. Bonds4

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103798922) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103798922
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(C)=O
InChIInChI=1S/C7H15NO2S/c1-5(8-6(2)10)7(4-9)11-3/h5,7,9H,4H2,1-3H3,(H,8,10)
InChIKeyXMHVPNMAGVHXCF-UHFFFAOYSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-3-methylsulfanylbutan-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-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103798922) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(C)=O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is XMHVPNMAGVHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5(8-6(2)10)7(4-9)11-3/h5,7,9H,4H2,1-3H3,(H,8,10).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 177.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103798922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).