[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide

C14H26N2O3S — CID 168680639

IUPAC[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)C1CCC(N2CC(CS(N)(=O)=O)CC2=O)CC1
InChIInChI=1S/C14H26N2O3S/c1-10(2)12-3-5-13(6-4-12)16-8-11(7-14(16)17)9-20(15,18)19/h10-13H,3-9H2,1-2H3,(H2,15,18,19)
InChIKeyQSQVGIFVSVHFSP-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.34
Rot. Bonds4

About [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680639) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168680639
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)C1CCC(N2CC(CS(N)(=O)=O)CC2=O)CC1
InChIInChI=1S/C14H26N2O3S/c1-10(2)12-3-5-13(6-4-12)16-8-11(7-14(16)17)9-20(15,18)19/h10-13H,3-9H2,1-2H3,(H2,15,18,19)
InChIKeyQSQVGIFVSVHFSP-UHFFFAOYSA-N
XLogP1.34
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide (CID 168680639) is [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide is CC(C)C1CCC(N2CC(CS(N)(=O)=O)CC2=O)CC1.
What is the InChIKey of [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QSQVGIFVSVHFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-10(2)12-3-5-13(6-4-12)16-8-11(7-14(16)17)9-20(15,18)19/h10-13H,3-9H2,1-2H3,(H2,15,18,19).
What are the key properties of [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).