2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

C11H17NO3S — CID 103062497

IUPAC2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CCSC1
InChIInChI=1S/C11H17NO3S/c13-10(12-7-4-5-16-6-7)8-2-1-3-9(8)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyCYRUJKRKCQLSCI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.11
Rot. Bonds3

About 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103062497) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103062497
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CCSC1
InChIInChI=1S/C11H17NO3S/c13-10(12-7-4-5-16-6-7)8-2-1-3-9(8)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyCYRUJKRKCQLSCI-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic 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-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103062497) is 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NC1CCSC1.
What is the InChIKey of 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is CYRUJKRKCQLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-10(12-7-4-5-16-6-7)8-2-1-3-9(8)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 243.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103062497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).