2-amino-N-methyl-4-methylsulfinylbutanamide

C6H14N2O2S — CID 58684641

IUPAC2-amino-N-methyl-4-methylsulfinylbutanamide
SMILESCNC(=O)C(N)CCS(C)=O
InChIInChI=1S/C6H14N2O2S/c1-8-6(9)5(7)3-4-11(2)10/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyRSPQYUPWEWYSAG-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.17
Rot. Bonds4

About 2-amino-N-methyl-4-methylsulfinylbutanamide

2-amino-N-methyl-4-methylsulfinylbutanamide (PubChem CID 58684641) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfinylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfinylbutanamide
PubChem CID58684641
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-amino-N-methyl-4-methylsulfinylbutanamide
SMILESCNC(=O)C(N)CCS(C)=O
InChIInChI=1S/C6H14N2O2S/c1-8-6(9)5(7)3-4-11(2)10/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyRSPQYUPWEWYSAG-UHFFFAOYSA-N
XLogP-1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-methylsulfinyl-2-sulfanylbutanamide
CID 139294990
2-[(2-amino-4-methylsulfinylbutanoyl)amino]-3-sulfanylpropanoic acid
CID 91746292
2-amino-N,5-dimethylhexanamide
CID 116850475
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
2-amino-5-hydroxy-N-methylpentanamide;ethane
CID 155713743
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2R)-2-amino-N-methylbutanamide
CID 14888796
(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
CID 90017502
2-amino-N-methyltetradecanamide
CID 88912425
2,6-diamino-N-methylhexanamide;ethane
CID 142474602
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfinylbutanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfinylbutanamide (CID 58684641) is 2-amino-N-methyl-4-methylsulfinylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfinylbutanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfinylbutanamide is CNC(=O)C(N)CCS(C)=O.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfinylbutanamide?
The InChIKey is RSPQYUPWEWYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8-6(9)5(7)3-4-11(2)10/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-N-methyl-4-methylsulfinylbutanamide?
2-amino-N-methyl-4-methylsulfinylbutanamide has a molecular weight of 178.26 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfinylbutanamide is sourced from PubChem (CID 58684641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).