2-methyl-3-sulfanylbutanamide

C5H11NOS — CID 87275807

IUPAC2-methyl-3-sulfanylbutanamide
SMILESCC(S)C(C)C(N)=O
InChIInChI=1S/C5H11NOS/c1-3(4(2)8)5(6)7/h3-4,8H,1-2H3,(H2,6,7)
InChIKeyKZTDJFQUWVYIFS-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.43
Rot. Bonds2

About 2-methyl-3-sulfanylbutanamide

2-methyl-3-sulfanylbutanamide (PubChem CID 87275807) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-methyl-3-sulfanylbutanamide.

Molecular Properties

Compound Name2-methyl-3-sulfanylbutanamide
PubChem CID87275807
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name2-methyl-3-sulfanylbutanamide
SMILESCC(S)C(C)C(N)=O
InChIInChI=1S/C5H11NOS/c1-3(4(2)8)5(6)7/h3-4,8H,1-2H3,(H2,6,7)
InChIKeyKZTDJFQUWVYIFS-UHFFFAOYSA-N
XLogP0.43
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-sulfanylbutanamide 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

(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2,3-dimethylbutanediamide
CID 55281411
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-methyl-3-sulfanylbutanehydrazide
CID 79415259
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-fluoropropanamide
CID 129374964
2-aminopropanamide;ethane
CID 156828005
2,3-dimethylhexanamide
CID 55291364
(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
CID 54362580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-sulfanylbutanamide?
The IUPAC name of 2-methyl-3-sulfanylbutanamide (CID 87275807) is 2-methyl-3-sulfanylbutanamide.
What is the SMILES notation for 2-methyl-3-sulfanylbutanamide?
The canonical SMILES for 2-methyl-3-sulfanylbutanamide is CC(S)C(C)C(N)=O.
What is the InChIKey of 2-methyl-3-sulfanylbutanamide?
The InChIKey is KZTDJFQUWVYIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3(4(2)8)5(6)7/h3-4,8H,1-2H3,(H2,6,7).
What are the key properties of 2-methyl-3-sulfanylbutanamide?
2-methyl-3-sulfanylbutanamide has a molecular weight of 133.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-sulfanylbutanamide is sourced from PubChem (CID 87275807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).