6-cyclopentylsulfinylhexan-3-one

C11H20O2S — CID 106808624

IUPAC6-cyclopentylsulfinylhexan-3-one
SMILESCCC(=O)CCCS(=O)C1CCCC1
InChIInChI=1S/C11H20O2S/c1-2-10(12)6-5-9-14(13)11-7-3-4-8-11/h11H,2-9H2,1H3
InChIKeyKUJRZTTUTNEFOM-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.44
Rot. Bonds6

About 6-cyclopentylsulfinylhexan-3-one

6-cyclopentylsulfinylhexan-3-one (PubChem CID 106808624) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 6-cyclopentylsulfinylhexan-3-one.

Molecular Properties

Compound Name6-cyclopentylsulfinylhexan-3-one
PubChem CID106808624
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name6-cyclopentylsulfinylhexan-3-one
SMILESCCC(=O)CCCS(=O)C1CCCC1
InChIInChI=1S/C11H20O2S/c1-2-10(12)6-5-9-14(13)11-7-3-4-8-11/h11H,2-9H2,1H3
InChIKeyKUJRZTTUTNEFOM-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-cyclohexylsulfinylpropanoate
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6-cyclopentylsulfonylhexan-3-one
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heptadecane-3,7,11,15-tetrone
CID 160942813
2-cyclopentylsulfinylethanamine
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7,7,9,9-tetracyclohexylpentadecane-3,8,13-trione
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methyl 3-cycloheptylsulfinyl-2-methylpropanoate
CID 82930890
methane;undecane-3,9-dione
CID 158816586
1-(2-ethylcyclohexyl)pentan-3-one
CID 64520349
[(S)-2-nitroethylsulfinyl]cyclohexane
CID 125480175
N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
CID 64690317

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfinylhexan-3-one?
The IUPAC name of 6-cyclopentylsulfinylhexan-3-one (CID 106808624) is 6-cyclopentylsulfinylhexan-3-one.
What is the SMILES notation for 6-cyclopentylsulfinylhexan-3-one?
The canonical SMILES for 6-cyclopentylsulfinylhexan-3-one is CCC(=O)CCCS(=O)C1CCCC1.
What is the InChIKey of 6-cyclopentylsulfinylhexan-3-one?
The InChIKey is KUJRZTTUTNEFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-2-10(12)6-5-9-14(13)11-7-3-4-8-11/h11H,2-9H2,1H3.
What are the key properties of 6-cyclopentylsulfinylhexan-3-one?
6-cyclopentylsulfinylhexan-3-one has a molecular weight of 216.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfinylhexan-3-one is sourced from PubChem (CID 106808624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).