4-amino-2-methylsulfonylbutanamide

C5H12N2O3S — CID 57014350

IUPAC4-amino-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)C(CCN)C(N)=O
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)
InChIKeyOJNAMACQRZANNE-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.77
Rot. Bonds4

About 4-amino-2-methylsulfonylbutanamide

4-amino-2-methylsulfonylbutanamide (PubChem CID 57014350) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-amino-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-amino-2-methylsulfonylbutanamide
PubChem CID57014350
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name4-amino-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)C(CCN)C(N)=O
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)
InChIKeyOJNAMACQRZANNE-UHFFFAOYSA-N
XLogP-1.77
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonylpentanamide
CID 87057703
4-amino-2-methylsulfonylbutanoic acid
CID 64693404
4-amino-2-ethylsulfonylbutanoic acid
CID 64694447
(2S)-4-amino-2-methylbutanamide
CID 87412339
4-amino-1-methoxy-1-oxobutane-2-sulfonic acid
CID 129196410
N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
CID 104522528
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
3-methyl-2-methylsulfonylbutanamide
CID 123985675
2-methylsulfonylbutanoic acid
CID 18360997
2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]butanamide
CID 66578110
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
(4-amino-1-methylsulfonylbutyl) acetate
CID 89307275

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylsulfonylbutanamide?
The IUPAC name of 4-amino-2-methylsulfonylbutanamide (CID 57014350) is 4-amino-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-amino-2-methylsulfonylbutanamide?
The canonical SMILES for 4-amino-2-methylsulfonylbutanamide is CS(=O)(=O)C(CCN)C(N)=O.
What is the InChIKey of 4-amino-2-methylsulfonylbutanamide?
The InChIKey is OJNAMACQRZANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-11(9,10)4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8).
What are the key properties of 4-amino-2-methylsulfonylbutanamide?
4-amino-2-methylsulfonylbutanamide has a molecular weight of 180.23 g/mol, XLogP of -1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylsulfonylbutanamide is sourced from PubChem (CID 57014350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).