2-cyclohexylsulfonyl-1-cyclopentylethanone

C13H22O3S — CID 104756158

IUPAC2-cyclohexylsulfonyl-1-cyclopentylethanone
SMILESO=C(CS(=O)(=O)C1CCCCC1)C1CCCC1
InChIInChI=1S/C13H22O3S/c14-13(11-6-4-5-7-11)10-17(15,16)12-8-2-1-3-9-12/h11-12H,1-10H2
InChIKeyNRBWFXSCDQQSFC-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclohexylsulfonyl-1-cyclopentylethanone

2-cyclohexylsulfonyl-1-cyclopentylethanone (PubChem CID 104756158) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-cyclopentylethanone.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-cyclopentylethanone
PubChem CID104756158
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name2-cyclohexylsulfonyl-1-cyclopentylethanone
SMILESO=C(CS(=O)(=O)C1CCCCC1)C1CCCC1
InChIInChI=1S/C13H22O3S/c14-13(11-6-4-5-7-11)10-17(15,16)12-8-2-1-3-9-12/h11-12H,1-10H2
InChIKeyNRBWFXSCDQQSFC-UHFFFAOYSA-N
XLogP2.49
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-cyclopentylethanone?
The IUPAC name of 2-cyclohexylsulfonyl-1-cyclopentylethanone (CID 104756158) is 2-cyclohexylsulfonyl-1-cyclopentylethanone.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-cyclopentylethanone?
The canonical SMILES for 2-cyclohexylsulfonyl-1-cyclopentylethanone is O=C(CS(=O)(=O)C1CCCCC1)C1CCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-1-cyclopentylethanone?
The InChIKey is NRBWFXSCDQQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c14-13(11-6-4-5-7-11)10-17(15,16)12-8-2-1-3-9-12/h11-12H,1-10H2.
What are the key properties of 2-cyclohexylsulfonyl-1-cyclopentylethanone?
2-cyclohexylsulfonyl-1-cyclopentylethanone has a molecular weight of 258.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-1-cyclopentylethanone is sourced from PubChem (CID 104756158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).