2,3-dimethyl-2-methylsulfanylcyclopentan-1-one

C8H14OS — CID 12861275

IUPAC2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
SMILESCSC1(C)C(=O)CCC1C
InChIInChI=1S/C8H14OS/c1-6-4-5-7(9)8(6,2)10-3/h6H,4-5H2,1-3H3
InChIKeyJKERZQGQDIWLBZ-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.11
Rot. Bonds1

About 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one

2,3-dimethyl-2-methylsulfanylcyclopentan-1-one (PubChem CID 12861275) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
PubChem CID12861275
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
SMILESCSC1(C)C(=O)CCC1C
InChIInChI=1S/C8H14OS/c1-6-4-5-7(9)8(6,2)10-3/h6H,4-5H2,1-3H3
InChIKeyJKERZQGQDIWLBZ-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one 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

3-Methyl-2-methylsulfanylcyclopentan-1-one
CID 12861274
2-(Methylthiomethyl)cyclopentan-1-one
CID 70257318
3-Methyl-2-methylsulfanyl-2-pentylcyclopentan-1-one
CID 12861276
Methyl 2-(3-oxocyclopentyl)ethanedithioate
CID 13512726
2-Methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-one
CID 116627195
(2-Cyclopentyl-2-oxoethyl)-dimethylsulfanium
CID 17822149
(2-Cyclopentyl-2-oxoethyl)-diethylsulfanium
CID 18547449
(2-Cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium
CID 18547467
Dibutyl-(2-cyclopentyl-2-oxoethyl)sulfanium
CID 18547532
Tert-butyl-(2-cyclopentyl-2-oxoethyl)-methylsulfanium
CID 18547579
1-Cyclopentyl-2-methylsulfanylethanone
CID 62692757
1-[(1S,3R)-3-methylsulfanylcyclopentyl]ethanone
CID 118039927

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one?
The IUPAC name of 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one (CID 12861275) is 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one.
What is the SMILES notation for 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one?
The canonical SMILES for 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one is CSC1(C)C(=O)CCC1C.
What is the InChIKey of 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one?
The InChIKey is JKERZQGQDIWLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-6-4-5-7(9)8(6,2)10-3/h6H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one?
2,3-dimethyl-2-methylsulfanylcyclopentan-1-one has a molecular weight of 158.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-methylsulfanylcyclopentan-1-one is sourced from PubChem (CID 12861275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).