3-(methanesulfonamido)cyclobutane-1-carboxylic acid

C6H11NO4S — CID 69261834

IUPAC3-(methanesulfonamido)cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO4S/c1-12(10,11)7-5-2-4(3-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyBVKGHYQZLJVVFP-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.60
Rot. Bonds3

About 3-(methanesulfonamido)cyclobutane-1-carboxylic acid

3-(methanesulfonamido)cyclobutane-1-carboxylic acid (PubChem CID 69261834) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(methanesulfonamido)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methanesulfonamido)cyclobutane-1-carboxylic acid
PubChem CID69261834
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name3-(methanesulfonamido)cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO4S/c1-12(10,11)7-5-2-4(3-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyBVKGHYQZLJVVFP-UHFFFAOYSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(methanesulfonamido)cyclobutane-1-carboxylic acid (CID 69261834) is 3-(methanesulfonamido)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(methanesulfonamido)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(methanesulfonamido)cyclobutane-1-carboxylic acid is CS(=O)(=O)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-(methanesulfonamido)cyclobutane-1-carboxylic acid?
The InChIKey is BVKGHYQZLJVVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-12(10,11)7-5-2-4(3-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-(methanesulfonamido)cyclobutane-1-carboxylic acid?
3-(methanesulfonamido)cyclobutane-1-carboxylic acid has a molecular weight of 193.22 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 69261834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).