1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid

C9H16O2S — CID 22660222

IUPAC1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCSCCC1(C(=O)O)CCCC1
InChIInChI=1S/C9H16O2S/c1-12-7-6-9(8(10)11)4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyQBXGVKWVKCHPNS-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid

1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid (PubChem CID 22660222) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
PubChem CID22660222
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCSCCC1(C(=O)O)CCCC1
InChIInChI=1S/C9H16O2S/c1-12-7-6-9(8(10)11)4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyQBXGVKWVKCHPNS-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylsulfanylethyl)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 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid (CID 22660222) is 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid is CSCCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is QBXGVKWVKCHPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12-7-6-9(8(10)11)4-2-3-5-9/h2-7H2,1H3,(H,10,11).
What are the key properties of 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 188.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22660222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).