1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride

C10H18ClN3O3S — CID 154922263

IUPAC1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCN(C(=O)C2C=CCN2)CC1
InChIInChI=1S/C10H17N3O3S.ClH/c11-17(15,16)8-3-6-13(7-4-8)10(14)9-2-1-5-12-9;/h1-2,8-9,12H,3-7H2,(H2,11,15,16);1H
InChIKeyJZYGPSKWLPLYAI-UHFFFAOYSA-N
MW295.79 g/mol
LogP-0.78
Rot. Bonds2

About 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride

1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride (PubChem CID 154922263) has the molecular formula C10H18ClN3O3S and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride
PubChem CID154922263
Molecular FormulaC10H18ClN3O3S
Molecular Weight295.79 g/mol
Exact Mass295.08
IUPAC Name1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCN(C(=O)C2C=CCN2)CC1
InChIInChI=1S/C10H17N3O3S.ClH/c11-17(15,16)8-3-6-13(7-4-8)10(14)9-2-1-5-12-9;/h1-2,8-9,12H,3-7H2,(H2,11,15,16);1H
InChIKeyJZYGPSKWLPLYAI-UHFFFAOYSA-N
XLogP-0.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride
CID 161366691
1-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide
CID 172635890
1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride
CID 126721416
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidin-4-yl]propan-1-one;hydrochloride
CID 154899757
4-sulfamoylazepane-1-carboxylic acid
CID 155100519
2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 72912789
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dihydro-1H-pyrrol-2-yl)methanone
CID 118777319
N,N-dimethyl-3-sulfamoylpyrrolidine-1-carboxamide
CID 136525151
(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542782
1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605
4-methylsulfonylpiperidine-1-carboxamide
CID 130659169
1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide
CID 163311368

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride (CID 154922263) is 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride is Cl.NS(=O)(=O)C1CCN(C(=O)C2C=CCN2)CC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride?
The InChIKey is JZYGPSKWLPLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S.ClH/c11-17(15,16)8-3-6-13(7-4-8)10(14)9-2-1-5-12-9;/h1-2,8-9,12H,3-7H2,(H2,11,15,16);1H.
What are the key properties of 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride?
1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride has a molecular weight of 295.79 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 154922263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).