6-cyclopentylsulfonylhexan-3-one

C11H20O3S — CID 106808577

IUPAC6-cyclopentylsulfonylhexan-3-one
SMILESCCC(=O)CCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20O3S/c1-2-10(12)6-5-9-15(13,14)11-7-3-4-8-11/h11H,2-9H2,1H3
InChIKeyNMGQRJONKKSPOX-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.10
Rot. Bonds6

About 6-cyclopentylsulfonylhexan-3-one

6-cyclopentylsulfonylhexan-3-one (PubChem CID 106808577) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 6-cyclopentylsulfonylhexan-3-one.

Molecular Properties

Compound Name6-cyclopentylsulfonylhexan-3-one
PubChem CID106808577
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name6-cyclopentylsulfonylhexan-3-one
SMILESCCC(=O)CCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20O3S/c1-2-10(12)6-5-9-15(13,14)11-7-3-4-8-11/h11H,2-9H2,1H3
InChIKeyNMGQRJONKKSPOX-UHFFFAOYSA-N
XLogP2.10
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-cyclopentylsulfonylhexan-3-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

5-cyclohexylsulfonylpentanoic acid
CID 60872104
heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
CID 89207862
CID 89207862
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
6-propylsulfonylhexan-3-one
CID 106727029
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
pentylsulfonylcyclopropane
CID 165043967
4-bromobutylsulfonylcyclohexane
CID 60872498
tert-butyl 3-cyclohexylsulfonylpropanoate
CID 116662463
1-cyclopentylsulfonylpropan-1-one
CID 141192779

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfonylhexan-3-one?
The IUPAC name of 6-cyclopentylsulfonylhexan-3-one (CID 106808577) is 6-cyclopentylsulfonylhexan-3-one.
What is the SMILES notation for 6-cyclopentylsulfonylhexan-3-one?
The canonical SMILES for 6-cyclopentylsulfonylhexan-3-one is CCC(=O)CCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 6-cyclopentylsulfonylhexan-3-one?
The InChIKey is NMGQRJONKKSPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-2-10(12)6-5-9-15(13,14)11-7-3-4-8-11/h11H,2-9H2,1H3.
What are the key properties of 6-cyclopentylsulfonylhexan-3-one?
6-cyclopentylsulfonylhexan-3-one has a molecular weight of 232.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfonylhexan-3-one is sourced from PubChem (CID 106808577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).