N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C11H20ClN3O3S — CID 154911346

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)N1CCCC1)C1C=CCN1
InChIInChI=1S/C11H19N3O3S.ClH/c15-11(10-4-3-5-12-10)13-6-9-18(16,17)14-7-1-2-8-14;/h3-4,10,12H,1-2,5-9H2,(H,13,15);1H
InChIKeyGJXRPBHKAPXICI-UHFFFAOYSA-N
MW309.82 g/mol
LogP-0.52
Rot. Bonds5

About N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154911346) has the molecular formula C11H20ClN3O3S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154911346
Molecular FormulaC11H20ClN3O3S
Molecular Weight309.82 g/mol
Exact Mass309.09
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)N1CCCC1)C1C=CCN1
InChIInChI=1S/C11H19N3O3S.ClH/c15-11(10-4-3-5-12-10)13-6-9-18(16,17)14-7-1-2-8-14;/h3-4,10,12H,1-2,5-9H2,(H,13,15);1H
InChIKeyGJXRPBHKAPXICI-UHFFFAOYSA-N
XLogP-0.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 5-0.52
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

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CID 125435841
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
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N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 77086366
N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 131908976
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439858
N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154912244
1-[(3,5-dimethylcyclohexyl)methyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
CID 166380996
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154911346) is N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cl.O=C(NCCS(=O)(=O)N1CCCC1)C1C=CCN1.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is GJXRPBHKAPXICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S.ClH/c15-11(10-4-3-5-12-10)13-6-9-18(16,17)14-7-1-2-8-14;/h3-4,10,12H,1-2,5-9H2,(H,13,15);1H.
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154911346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).