1-(3-methylcyclohexyl)sulfinylpentan-2-one

C12H22O2S — CID 64635690

IUPAC1-(3-methylcyclohexyl)sulfinylpentan-2-one
SMILESCCCC(=O)CS(=O)C1CCCC(C)C1
InChIInChI=1S/C12H22O2S/c1-3-5-11(13)9-15(14)12-7-4-6-10(2)8-12/h10,12H,3-9H2,1-2H3
InChIKeyAHLFQQJUEIJBDF-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-methylcyclohexyl)sulfinylpentan-2-one

1-(3-methylcyclohexyl)sulfinylpentan-2-one (PubChem CID 64635690) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)sulfinylpentan-2-one.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)sulfinylpentan-2-one
PubChem CID64635690
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name1-(3-methylcyclohexyl)sulfinylpentan-2-one
SMILESCCCC(=O)CS(=O)C1CCCC(C)C1
InChIInChI=1S/C12H22O2S/c1-3-5-11(13)9-15(14)12-7-4-6-10(2)8-12/h10,12H,3-9H2,1-2H3
InChIKeyAHLFQQJUEIJBDF-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64637194
2-acetamido-3-(3-methylcyclohexyl)sulfinylpropanoic acid
CID 64583533
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
CID 64657617
1-(3-methylcyclohexyl)pentan-2-one;propane;prop-1-ene
CID 170590257
2-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 62721365
(E)-3-(3-methylcyclohexyl)sulfinylprop-2-enoic acid
CID 106436041
4-fluoro-3-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 107453551
4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
CID 62808351
3-(3-methylcyclohexyl)sulfinylbutan-2-amine
CID 64657610
N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
CID 64724266

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)sulfinylpentan-2-one?
The IUPAC name of 1-(3-methylcyclohexyl)sulfinylpentan-2-one (CID 64635690) is 1-(3-methylcyclohexyl)sulfinylpentan-2-one.
What is the SMILES notation for 1-(3-methylcyclohexyl)sulfinylpentan-2-one?
The canonical SMILES for 1-(3-methylcyclohexyl)sulfinylpentan-2-one is CCCC(=O)CS(=O)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)sulfinylpentan-2-one?
The InChIKey is AHLFQQJUEIJBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c1-3-5-11(13)9-15(14)12-7-4-6-10(2)8-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)sulfinylpentan-2-one?
1-(3-methylcyclohexyl)sulfinylpentan-2-one has a molecular weight of 230.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)sulfinylpentan-2-one is sourced from PubChem (CID 64635690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).