2-amino-N-methylsulfonylbutanamide

C5H12N2O3S — CID 103287489

IUPAC2-amino-N-methylsulfonylbutanamide
SMILESCCC(N)C(=O)NS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-3-4(6)5(8)7-11(2,9)10/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyCYVVYRYUGVZCNF-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.20
Rot. Bonds3

About 2-amino-N-methylsulfonylbutanamide

2-amino-N-methylsulfonylbutanamide (PubChem CID 103287489) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-amino-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-methylsulfonylbutanamide
PubChem CID103287489
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-amino-N-methylsulfonylbutanamide
SMILESCCC(N)C(=O)NS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-3-4(6)5(8)7-11(2,9)10/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyCYVVYRYUGVZCNF-UHFFFAOYSA-N
XLogP-1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-methylsulfonylbutanamide
CID 18336288
2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
CID 129050816
(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide
CID 129061059
(2R)-2-amino-N-methylbutanamide
CID 14888796
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
3-amino-2-hydroxy-N-methylsulfonylpropanamide
CID 166957564
2-ethyl-N-methylsulfonylpentanamide;hydrochloride
CID 142463434
2-[[(2R)-2-aminobutanoyl]amino]oxyacetic acid
CID 104867444
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
2-amino-N-ethylsulfonylbutanediamide
CID 103306832
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-methylsulfonylbutanamide (CID 103287489) is 2-amino-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-methylsulfonylbutanamide is CCC(N)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-amino-N-methylsulfonylbutanamide?
The InChIKey is CYVVYRYUGVZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-3-4(6)5(8)7-11(2,9)10/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-N-methylsulfonylbutanamide?
2-amino-N-methylsulfonylbutanamide has a molecular weight of 180.23 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methylsulfonylbutanamide is sourced from PubChem (CID 103287489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).