[1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone

C15H26OS — CID 81451007

IUPAC[1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone
SMILESCC(C)CC1(C(=O)C2(C)CCCS2)CCCC1
InChIInChI=1S/C15H26OS/c1-12(2)11-15(8-4-5-9-15)13(16)14(3)7-6-10-17-14/h12H,4-11H2,1-3H3
InChIKeyGIFFVKJVEWQKMH-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.45
Rot. Bonds4

About [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone

[1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone (PubChem CID 81451007) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone
PubChem CID81451007
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name[1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone
SMILESCC(C)CC1(C(=O)C2(C)CCCS2)CCCC1
InChIInChI=1S/C15H26OS/c1-12(2)11-15(8-4-5-9-15)13(16)14(3)7-6-10-17-14/h12H,4-11H2,1-3H3
InChIKeyGIFFVKJVEWQKMH-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone (CID 81451007) is [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone is CC(C)CC1(C(=O)C2(C)CCCS2)CCCC1.
What is the InChIKey of [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is GIFFVKJVEWQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-12(2)11-15(8-4-5-9-15)13(16)14(3)7-6-10-17-14/h12H,4-11H2,1-3H3.
What are the key properties of [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone?
[1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 254.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)cyclopentyl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81451007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).