N-methyl-4-oxo-3-sulfanylpentanamide

C6H11NO2S — CID 130374131

IUPACN-methyl-4-oxo-3-sulfanylpentanamide
SMILESCNC(=O)CC(S)C(C)=O
InChIInChI=1S/C6H11NO2S/c1-4(8)5(10)3-6(9)7-2/h5,10H,3H2,1-2H3,(H,7,9)
InChIKeyPDCJVLRGIORRHJ-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.01
Rot. Bonds3

About N-methyl-4-oxo-3-sulfanylpentanamide

N-methyl-4-oxo-3-sulfanylpentanamide (PubChem CID 130374131) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-methyl-4-oxo-3-sulfanylpentanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-3-sulfanylpentanamide
PubChem CID130374131
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-methyl-4-oxo-3-sulfanylpentanamide
SMILESCNC(=O)CC(S)C(C)=O
InChIInChI=1S/C6H11NO2S/c1-4(8)5(10)3-6(9)7-2/h5,10H,3H2,1-2H3,(H,7,9)
InChIKeyPDCJVLRGIORRHJ-UHFFFAOYSA-N
XLogP0.01
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(methylamino)-4-oxo-2-sulfanylbutanoic acid
CID 170596842
(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
3-methyl-2-[2-(methylamino)-2-oxoethyl]but-3-enoic acid
CID 123615948
4-amino-3-sulfanylbutan-2-one
CID 54421211
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
3-ethoxy-N-methylpentanamide
CID 123953806
(3S)-N-methyl-3-methylsulfanylbutanamide
CID 58528328
2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87491412
(2S)-2-hydroxy-N',2-dimethylbutanediamide
CID 173099192
(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate
CID 86308213

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-3-sulfanylpentanamide?
The IUPAC name of N-methyl-4-oxo-3-sulfanylpentanamide (CID 130374131) is N-methyl-4-oxo-3-sulfanylpentanamide.
What is the SMILES notation for N-methyl-4-oxo-3-sulfanylpentanamide?
The canonical SMILES for N-methyl-4-oxo-3-sulfanylpentanamide is CNC(=O)CC(S)C(C)=O.
What is the InChIKey of N-methyl-4-oxo-3-sulfanylpentanamide?
The InChIKey is PDCJVLRGIORRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4(8)5(10)3-6(9)7-2/h5,10H,3H2,1-2H3,(H,7,9).
What are the key properties of N-methyl-4-oxo-3-sulfanylpentanamide?
N-methyl-4-oxo-3-sulfanylpentanamide has a molecular weight of 161.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-3-sulfanylpentanamide is sourced from PubChem (CID 130374131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).