3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one

C13H23NO3S — CID 79060141

IUPAC3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one
SMILESCS(=O)(=O)CCC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H23NO3S/c1-18(16,17)11-6-12(15)13(7-2-3-8-13)14-9-4-5-10-14/h2-11H2,1H3
InChIKeyJHZNIUTWAAPAOL-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.40
Rot. Bonds5

About 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one

3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one (PubChem CID 79060141) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one.

Molecular Properties

Compound Name3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one
PubChem CID79060141
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one
SMILESCS(=O)(=O)CCC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H23NO3S/c1-18(16,17)11-6-12(15)13(7-2-3-8-13)14-9-4-5-10-14/h2-11H2,1H3
InChIKeyJHZNIUTWAAPAOL-UHFFFAOYSA-N
XLogP1.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one?
The IUPAC name of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one (CID 79060141) is 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one.
What is the SMILES notation for 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one?
The canonical SMILES for 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one is CS(=O)(=O)CCC(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one?
The InChIKey is JHZNIUTWAAPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-18(16,17)11-6-12(15)13(7-2-3-8-13)14-9-4-5-10-14/h2-11H2,1H3.
What are the key properties of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one?
3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one has a molecular weight of 273.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one is sourced from PubChem (CID 79060141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).