1-cyclohexyl-3-methylsulfonylpropan-2-one

C10H18O3S — CID 115601525

IUPAC1-cyclohexyl-3-methylsulfonylpropan-2-one
SMILESCS(=O)(=O)CC(=O)CC1CCCCC1
InChIInChI=1S/C10H18O3S/c1-14(12,13)8-10(11)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyPRRCSNAOARYCDH-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.57
Rot. Bonds4

About 1-cyclohexyl-3-methylsulfonylpropan-2-one

1-cyclohexyl-3-methylsulfonylpropan-2-one (PubChem CID 115601525) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylsulfonylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methylsulfonylpropan-2-one
PubChem CID115601525
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-cyclohexyl-3-methylsulfonylpropan-2-one
SMILESCS(=O)(=O)CC(=O)CC1CCCCC1
InChIInChI=1S/C10H18O3S/c1-14(12,13)8-10(11)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyPRRCSNAOARYCDH-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylsulfonylpropan-2-one?
The IUPAC name of 1-cyclohexyl-3-methylsulfonylpropan-2-one (CID 115601525) is 1-cyclohexyl-3-methylsulfonylpropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-methylsulfonylpropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-methylsulfonylpropan-2-one is CS(=O)(=O)CC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylsulfonylpropan-2-one?
The InChIKey is PRRCSNAOARYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-14(12,13)8-10(11)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-3-methylsulfonylpropan-2-one?
1-cyclohexyl-3-methylsulfonylpropan-2-one has a molecular weight of 218.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylsulfonylpropan-2-one is sourced from PubChem (CID 115601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).