1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid

C10H18O2S — CID 22660219

IUPAC1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid
SMILESCSCCCC1(C(=O)O)CCCC1
InChIInChI=1S/C10H18O2S/c1-13-8-4-7-10(9(11)12)5-2-3-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyFGDWOEOQQIDQBT-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.77
Rot. Bonds5

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

1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid (PubChem CID 22660219) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid
PubChem CID22660219
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid
SMILESCSCCCC1(C(=O)O)CCCC1
InChIInChI=1S/C10H18O2S/c1-13-8-4-7-10(9(11)12)5-2-3-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyFGDWOEOQQIDQBT-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-methylsulfanylpropyl)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-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid (CID 22660219) is 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid is CSCCCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid?
The InChIKey is FGDWOEOQQIDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-13-8-4-7-10(9(11)12)5-2-3-6-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid?
1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid has a molecular weight of 202.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22660219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).