3-(methanesulfonamido)cyclopentane-1-carboxylic acid

C7H13NO4S — CID 66030553

IUPAC3-(methanesulfonamido)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C7H13NO4S/c1-13(11,12)8-6-3-2-5(4-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyGCCDUVDCMUQTOE-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.21
Rot. Bonds3

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

3-(methanesulfonamido)cyclopentane-1-carboxylic acid (PubChem CID 66030553) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(methanesulfonamido)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methanesulfonamido)cyclopentane-1-carboxylic acid
PubChem CID66030553
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-(methanesulfonamido)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C7H13NO4S/c1-13(11,12)8-6-3-2-5(4-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyGCCDUVDCMUQTOE-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(methanesulfonamido)cyclopentane-1-carboxylic acid (CID 66030553) is 3-(methanesulfonamido)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(methanesulfonamido)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(methanesulfonamido)cyclopentane-1-carboxylic acid is CS(=O)(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(methanesulfonamido)cyclopentane-1-carboxylic acid?
The InChIKey is GCCDUVDCMUQTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-13(11,12)8-6-3-2-5(4-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(methanesulfonamido)cyclopentane-1-carboxylic acid?
3-(methanesulfonamido)cyclopentane-1-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).