(2S)-2-(methanesulfonamido)propanoic acid

C4H9NO4S — CID 7446978

IUPAC(2S)-2-(methanesulfonamido)propanoic acid
SMILESC[C@H](NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyIVSHKPMKSXBARS-VKHMYHEASA-N
MW167.19 g/mol
LogP-0.99
Rot. Bonds3

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

(2S)-2-(methanesulfonamido)propanoic acid (PubChem CID 7446978) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)propanoic acid
PubChem CID7446978
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name(2S)-2-(methanesulfonamido)propanoic acid
SMILESC[C@H](NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyIVSHKPMKSXBARS-VKHMYHEASA-N
XLogP-0.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(methanesulfonamido)propanoic 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

L-Cysteic acid monohydrate
CID 12308854
Homocysteine sulfonamide
CID 134185
(2R)-2-amino-3-sulfamoylpropanoic acid
CID 20057192
2-Amino-3-sulfamoylpropanoic acid
CID 282012
N-(methylsulfonyl)-beta-alanine
CID 6502032
2-Methanesulfonamidopropanoic acid
CID 13443844
2-Ethanesulfonamidopropanoic acid
CID 16228507
(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid
CID 54287926
(2S)-2-methanesulfonamido-3-methylbutanoic acid
CID 10921435
(2R)-2-amino-3-methanesulfonylpropanoic acid
CID 11283261
2-Methanesulfonamido-3,3-dimethylbutanoic acid
CID 43468070
1-aminoethyl-N-1-carboxyethyl sulfonamidate
CID 44405137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)propanoic acid?
The IUPAC name of (2S)-2-(methanesulfonamido)propanoic acid (CID 7446978) is (2S)-2-(methanesulfonamido)propanoic acid.
What is the SMILES notation for (2S)-2-(methanesulfonamido)propanoic acid?
The canonical SMILES for (2S)-2-(methanesulfonamido)propanoic acid is C[C@H](NS(C)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-(methanesulfonamido)propanoic acid?
The InChIKey is IVSHKPMKSXBARS-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)propanoic acid?
(2S)-2-(methanesulfonamido)propanoic acid has a molecular weight of 167.19 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)propanoic acid is sourced from PubChem (CID 7446978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).