cyclooctyl-(2-methylthiolan-2-yl)methanone

C14H24OS — CID 81450476

IUPACcyclooctyl-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)C2CCCCCCC2)CCCS1
InChIInChI=1S/C14H24OS/c1-14(10-7-11-16-14)13(15)12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3
InChIKeyGTDLKONLQWNBMZ-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.20
Rot. Bonds2

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

cyclooctyl-(2-methylthiolan-2-yl)methanone (PubChem CID 81450476) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is cyclooctyl-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Namecyclooctyl-(2-methylthiolan-2-yl)methanone
PubChem CID81450476
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Namecyclooctyl-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)C2CCCCCCC2)CCCS1
InChIInChI=1S/C14H24OS/c1-14(10-7-11-16-14)13(15)12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3
InChIKeyGTDLKONLQWNBMZ-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2-methylthiolan-2-yl)methanone
CID 81452516
cyclopropyl-(2-methylthiolan-2-yl)methanone
CID 81451765
(2,2-dimethylcyclopentyl)-(2-methylthiolan-2-yl)methanone
CID 107179384
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
N-cyclopropyl-2-methylthiolane-2-carboxamide
CID 80949024
N-(2-chloroethyl)-N-cyclohexyl-2-methylthiolane-2-carboxamide
CID 81451854
2-methyl-1-(2-methylthiolan-2-yl)propan-1-one
CID 81452515
N-(2-chlorocyclohexyl)-N,2-dimethylthiolane-2-carboxamide
CID 102638124
N-(2-aminocyclopropyl)-2-methylthiolane-2-carboxamide
CID 81451810
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide
CID 115882470
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81002095

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-methylthiolan-2-yl)methanone?
The IUPAC name of cyclooctyl-(2-methylthiolan-2-yl)methanone (CID 81450476) is cyclooctyl-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for cyclooctyl-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for cyclooctyl-(2-methylthiolan-2-yl)methanone is CC1(C(=O)C2CCCCCCC2)CCCS1.
What is the InChIKey of cyclooctyl-(2-methylthiolan-2-yl)methanone?
The InChIKey is GTDLKONLQWNBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-14(10-7-11-16-14)13(15)12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3.
What are the key properties of cyclooctyl-(2-methylthiolan-2-yl)methanone?
cyclooctyl-(2-methylthiolan-2-yl)methanone has a molecular weight of 240.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81450476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).