1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride

C13H22ClN3O3S — CID 126721416

IUPAC1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCN(C(=O)C2CC3=C(CNC3)C2)CC1
InChIInChI=1S/C13H21N3O3S.ClH/c14-20(18,19)12-1-3-16(4-2-12)13(17)9-5-10-7-15-8-11(10)6-9;/h9,12,15H,1-8H2,(H2,14,18,19);1H
InChIKeyPKLZQVMXYCWGJL-UHFFFAOYSA-N
MW335.86 g/mol
LogP-0.00
Rot. Bonds2

About 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride

1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride (PubChem CID 126721416) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride
PubChem CID126721416
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCN(C(=O)C2CC3=C(CNC3)C2)CC1
InChIInChI=1S/C13H21N3O3S.ClH/c14-20(18,19)12-1-3-16(4-2-12)13(17)9-5-10-7-15-8-11(10)6-9;/h9,12,15H,1-8H2,(H2,14,18,19);1H
InChIKeyPKLZQVMXYCWGJL-UHFFFAOYSA-N
XLogP-0.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride (CID 126721416) is 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride is Cl.NS(=O)(=O)C1CCN(C(=O)C2CC3=C(CNC3)C2)CC1.
What is the InChIKey of 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride?
The InChIKey is PKLZQVMXYCWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c14-20(18,19)12-1-3-16(4-2-12)13(17)9-5-10-7-15-8-11(10)6-9;/h9,12,15H,1-8H2,(H2,14,18,19);1H.
What are the key properties of 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride?
1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 126721416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).