[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide

C12H25N3O2S — CID 71874362

IUPAC[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1CCN1CCCCC1
InChIInChI=1S/C12H25N3O2S/c13-18(16,17)11-12-5-4-8-15(12)10-9-14-6-2-1-3-7-14/h12H,1-11H2,(H2,13,16,17)
InChIKeyXGQFIAQGWPDCRZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.23
Rot. Bonds5

About [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide

[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide (PubChem CID 71874362) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide
PubChem CID71874362
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1CCN1CCCCC1
InChIInChI=1S/C12H25N3O2S/c13-18(16,17)11-12-5-4-8-15(12)10-9-14-6-2-1-3-7-14/h12H,1-11H2,(H2,13,16,17)
InChIKeyXGQFIAQGWPDCRZ-UHFFFAOYSA-N
XLogP0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide (CID 71874362) is [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN1CCN1CCCCC1.
What is the InChIKey of [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is XGQFIAQGWPDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-18(16,17)11-12-5-4-8-15(12)10-9-14-6-2-1-3-7-14/h12H,1-11H2,(H2,13,16,17).
What are the key properties of [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide?
[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 71874362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).