N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide

C12H23N3O2S — CID 54973205

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)C1CCNCC1
InChIInChI=1S/C12H23N3O2S/c16-18(17,10-3-6-13-7-4-10)14-11-5-9-15-8-1-2-12(11)15/h10-14H,1-9H2
InChIKeyKLLAELZPWBXSDY-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.11
Rot. Bonds3

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide (PubChem CID 54973205) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide
PubChem CID54973205
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)C1CCNCC1
InChIInChI=1S/C12H23N3O2S/c16-18(17,10-3-6-13-7-4-10)14-11-5-9-15-8-1-2-12(11)15/h10-14H,1-9H2
InChIKeyKLLAELZPWBXSDY-UHFFFAOYSA-N
XLogP-0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide 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 N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide (CID 54973205) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide is O=S(=O)(NC1CCN2CCCC12)C1CCNCC1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide?
The InChIKey is KLLAELZPWBXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c16-18(17,10-3-6-13-7-4-10)14-11-5-9-15-8-1-2-12(11)15/h10-14H,1-9H2.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 54973205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).