(2S)-2-(methanesulfonamido)butanoic acid

C5H11NO4S — CID 42255236

IUPAC(2S)-2-(methanesulfonamido)butanoic acid
SMILESCC[C@H](NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C5H11NO4S/c1-3-4(5(7)8)6-11(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyUJNHMEKMDXXDLO-BYPYZUCNSA-N
MW181.21 g/mol
LogP-0.60
Rot. Bonds4

About (2S)-2-(methanesulfonamido)butanoic acid

(2S)-2-(methanesulfonamido)butanoic acid (PubChem CID 42255236) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)butanoic acid
PubChem CID42255236
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(2S)-2-(methanesulfonamido)butanoic acid
SMILESCC[C@H](NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C5H11NO4S/c1-3-4(5(7)8)6-11(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyUJNHMEKMDXXDLO-BYPYZUCNSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(methanesulfonamido)butanoic acid 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

Methionine Sulfone
CID 445282
Homocysteic acid
CID 92117
Butanoic acid, 2-amino-4-sulfino-, (2S)-
CID 75896
Butanoic acid, 2-amino-4-(methylsulfonyl)-
CID 69961
L-Homocysteic acid
CID 177491
2-Amino-4-sulfinobutanoic acid
CID 161712
Homocysteine sulfonamide
CID 134185
2-Methanesulfonamidopropanoic acid
CID 13443844
2-Ethanesulfonamidopropanoic acid
CID 16228507
2-Ethanesulfonamido-4-(methylsulfanyl)butanoic acid
CID 4961765
(2S)-2-methanesulfonamido-3-methylbutanoic acid
CID 10921435
2-Methanesulfonamido-3,3-dimethylbutanoic acid
CID 43468070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)butanoic acid?
The IUPAC name of (2S)-2-(methanesulfonamido)butanoic acid (CID 42255236) is (2S)-2-(methanesulfonamido)butanoic acid.
What is the SMILES notation for (2S)-2-(methanesulfonamido)butanoic acid?
The canonical SMILES for (2S)-2-(methanesulfonamido)butanoic acid is CC[C@H](NS(C)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-(methanesulfonamido)butanoic acid?
The InChIKey is UJNHMEKMDXXDLO-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-4(5(7)8)6-11(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)butanoic acid?
(2S)-2-(methanesulfonamido)butanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)butanoic acid is sourced from PubChem (CID 42255236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).