3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one

C14H25NO3S — CID 71805507

IUPAC3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
SMILESCS(=O)(=O)C1CCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C14H25NO3S/c1-19(17,18)13-9-10-15(11-13)14(16)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyJHSCUXFDEOKKDF-UHFFFAOYSA-N
MW287.42 g/mol
LogP1.99
Rot. Bonds4

About 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one

3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one (PubChem CID 71805507) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
PubChem CID71805507
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
SMILESCS(=O)(=O)C1CCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C14H25NO3S/c1-19(17,18)13-9-10-15(11-13)14(16)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyJHSCUXFDEOKKDF-UHFFFAOYSA-N
XLogP1.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one (CID 71805507) is 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one is CS(=O)(=O)C1CCN(C(=O)CCC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one?
The InChIKey is JHSCUXFDEOKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-19(17,18)13-9-10-15(11-13)14(16)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one?
3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one has a molecular weight of 287.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 71805507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).