cyclopropyl-(2-methylthiolan-2-yl)methanone

C9H14OS — CID 81451765

IUPACcyclopropyl-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)C2CC2)CCCS1
InChIInChI=1S/C9H14OS/c1-9(5-2-6-11-9)8(10)7-3-4-7/h7H,2-6H2,1H3
InChIKeyGSODHEMXRFSRRO-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.25
Rot. Bonds2

About cyclopropyl-(2-methylthiolan-2-yl)methanone

cyclopropyl-(2-methylthiolan-2-yl)methanone (PubChem CID 81451765) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is cyclopropyl-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methylthiolan-2-yl)methanone
PubChem CID81451765
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Namecyclopropyl-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)C2CC2)CCCS1
InChIInChI=1S/C9H14OS/c1-9(5-2-6-11-9)8(10)7-3-4-7/h7H,2-6H2,1H3
InChIKeyGSODHEMXRFSRRO-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-(2-methylthiolan-2-yl)methanone 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

cyclobutyl-(2-methylthiolan-2-yl)methanone
CID 81452516
cyclooctyl-(2-methylthiolan-2-yl)methanone
CID 81450476
(2,2-dimethylcyclopentyl)-(2-methylthiolan-2-yl)methanone
CID 107179384
N-cyclopropyl-2-methylthiolane-2-carboxamide
CID 80949024
2-methyl-1-(2-methylthiolan-2-yl)propan-1-one
CID 81452515
N-(2-aminocyclopropyl)-2-methylthiolane-2-carboxamide
CID 81451810
(2R)-1-(2-methylthiolane-2-carbonyl)piperidine-2-carboxylic acid
CID 81452843
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81002095
N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide
CID 115882470
(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 130634407
1-(2-methylthiolan-2-yl)pent-4-yn-1-one
CID 105100708

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methylthiolan-2-yl)methanone?
The IUPAC name of cyclopropyl-(2-methylthiolan-2-yl)methanone (CID 81451765) is cyclopropyl-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for cyclopropyl-(2-methylthiolan-2-yl)methanone is CC1(C(=O)C2CC2)CCCS1.
What is the InChIKey of cyclopropyl-(2-methylthiolan-2-yl)methanone?
The InChIKey is GSODHEMXRFSRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-9(5-2-6-11-9)8(10)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of cyclopropyl-(2-methylthiolan-2-yl)methanone?
cyclopropyl-(2-methylthiolan-2-yl)methanone has a molecular weight of 170.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).