[3-(2-methylcyclopentyl)cycloheptyl]methanethiol

C14H26S — CID 163894608

IUPAC[3-(2-methylcyclopentyl)cycloheptyl]methanethiol
SMILESCC1CCCC1C1CCCCC(CS)C1
InChIInChI=1S/C14H26S/c1-11-5-4-8-14(11)13-7-3-2-6-12(9-13)10-15/h11-15H,2-10H2,1H3
InChIKeyQENKHIWGXCZGJJ-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.55
Rot. Bonds2

About [3-(2-methylcyclopentyl)cycloheptyl]methanethiol

[3-(2-methylcyclopentyl)cycloheptyl]methanethiol (PubChem CID 163894608) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is [3-(2-methylcyclopentyl)cycloheptyl]methanethiol.

Molecular Properties

Compound Name[3-(2-methylcyclopentyl)cycloheptyl]methanethiol
PubChem CID163894608
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name[3-(2-methylcyclopentyl)cycloheptyl]methanethiol
SMILESCC1CCCC1C1CCCCC(CS)C1
InChIInChI=1S/C14H26S/c1-11-5-4-8-14(11)13-7-3-2-6-12(9-13)10-15/h11-15H,2-10H2,1H3
InChIKeyQENKHIWGXCZGJJ-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [3-(2-methylcyclopentyl)cycloheptyl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431
1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
CID 123393591
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
1-methyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140848336

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylcyclopentyl)cycloheptyl]methanethiol?
The IUPAC name of [3-(2-methylcyclopentyl)cycloheptyl]methanethiol (CID 163894608) is [3-(2-methylcyclopentyl)cycloheptyl]methanethiol.
What is the SMILES notation for [3-(2-methylcyclopentyl)cycloheptyl]methanethiol?
The canonical SMILES for [3-(2-methylcyclopentyl)cycloheptyl]methanethiol is CC1CCCC1C1CCCCC(CS)C1.
What is the InChIKey of [3-(2-methylcyclopentyl)cycloheptyl]methanethiol?
The InChIKey is QENKHIWGXCZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-11-5-4-8-14(11)13-7-3-2-6-12(9-13)10-15/h11-15H,2-10H2,1H3.
What are the key properties of [3-(2-methylcyclopentyl)cycloheptyl]methanethiol?
[3-(2-methylcyclopentyl)cycloheptyl]methanethiol has a molecular weight of 226.43 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylcyclopentyl)cycloheptyl]methanethiol is sourced from PubChem (CID 163894608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).