2-(methanesulfonamido)acetic acid

C3H7NO4S — CID 3151236

IUPAC2-(methanesulfonamido)acetic acid
SMILESCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyLTZMAQOKPJMBRZ-UHFFFAOYSA-N
MW153.16 g/mol
LogP-1.38
Rot. Bonds3

About 2-(methanesulfonamido)acetic acid

2-(methanesulfonamido)acetic acid (PubChem CID 3151236) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-(methanesulfonamido)acetic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)acetic acid
PubChem CID3151236
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name2-(methanesulfonamido)acetic acid
SMILESCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyLTZMAQOKPJMBRZ-UHFFFAOYSA-N
XLogP-1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methanesulfonamido)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)acetic acid?
The IUPAC name of 2-(methanesulfonamido)acetic acid (CID 3151236) is 2-(methanesulfonamido)acetic acid.
What is the SMILES notation for 2-(methanesulfonamido)acetic acid?
The canonical SMILES for 2-(methanesulfonamido)acetic acid is CS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(methanesulfonamido)acetic acid?
The InChIKey is LTZMAQOKPJMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methanesulfonamido)acetic acid?
2-(methanesulfonamido)acetic acid has a molecular weight of 153.16 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)acetic acid is sourced from PubChem (CID 3151236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).