cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C16H26N2O3S — CID 91921415

IUPACcyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1
InChIInChI=1S/C16H26N2O3S/c1-22(20,21)18-10-7-13(8-11-18)15-6-9-17(12-15)16(19)14-4-2-3-5-14/h2-3,13-15H,4-12H2,1H3
InChIKeySQWOFNDOVOGXLG-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.47
Rot. Bonds3

About cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91921415) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91921415
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Namecyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1
InChIInChI=1S/C16H26N2O3S/c1-22(20,21)18-10-7-13(8-11-18)15-6-9-17(12-15)16(19)14-4-2-3-5-14/h2-3,13-15H,4-12H2,1H3
InChIKeySQWOFNDOVOGXLG-UHFFFAOYSA-N
XLogP1.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91921415) is cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CS(=O)(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SQWOFNDOVOGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-22(20,21)18-10-7-13(8-11-18)15-6-9-17(12-15)16(19)14-4-2-3-5-14/h2-3,13-15H,4-12H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.46 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91921415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).