3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane

C9H17ClOS — CID 130856145

IUPAC3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
SMILESCS(=O)CCC1(C)CCC(Cl)C1
InChIInChI=1S/C9H17ClOS/c1-9(5-6-12(2)11)4-3-8(10)7-9/h8H,3-7H2,1-2H3
InChIKeyGZBSRIQJEFHSGB-UHFFFAOYSA-N
MW208.75 g/mol
LogP2.55
Rot. Bonds3

About 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane

3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane (PubChem CID 130856145) has the molecular formula C9H17ClOS and a molecular weight of 208.75 g/mol. Its IUPAC name is 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane.

Molecular Properties

Compound Name3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
PubChem CID130856145
Molecular FormulaC9H17ClOS
Molecular Weight208.75 g/mol
Exact Mass208.07
IUPAC Name3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
SMILESCS(=O)CCC1(C)CCC(Cl)C1
InChIInChI=1S/C9H17ClOS/c1-9(5-6-12(2)11)4-3-8(10)7-9/h8H,3-7H2,1-2H3
InChIKeyGZBSRIQJEFHSGB-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane 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

1-but-3-enyl-3-chloro-1-methylcyclopentane
CID 116540428
3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane
CID 116540323
3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
3-(3-chloro-1-methylcyclopentyl)propoxybenzene
CID 116540356
2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene
CID 116540374
4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol
CID 130914134
trans-methyl (1R,3S)-3-chloro-1-methylcyclopentane-1-carboxylate
CID 14435921
4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine
CID 116540192
2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 130791869
3-[(3-chloro-1-methylcyclopentyl)methyl]-2,3-dihydro-1-benzothiophene
CID 116540293
1-chloro-2-methyl-3-(2-methylsulfinylethyl)cyclopentane
CID 130791891
(3-chloro-1-methylcyclopentyl)cycloheptane
CID 116540220

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane?
The IUPAC name of 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane (CID 130856145) is 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane.
What is the SMILES notation for 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane?
The canonical SMILES for 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane is CS(=O)CCC1(C)CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane?
The InChIKey is GZBSRIQJEFHSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClOS/c1-9(5-6-12(2)11)4-3-8(10)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane?
3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane has a molecular weight of 208.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane is sourced from PubChem (CID 130856145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).