N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide

C13H20N4O3S — CID 136567327

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1cnc2n1CCC2
InChIInChI=1S/C13H20N4O3S/c18-13(11-10-15-12-4-3-8-17(11)12)14-5-9-21(19,20)16-6-1-2-7-16/h10H,1-9H2,(H,14,18)
InChIKeyFGTQUHWMHVVOEW-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.02
Rot. Bonds5

About N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide

N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide (PubChem CID 136567327) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
PubChem CID136567327
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1cnc2n1CCC2
InChIInChI=1S/C13H20N4O3S/c18-13(11-10-15-12-4-3-8-17(11)12)14-5-9-21(19,20)16-6-1-2-7-16/h10H,1-9H2,(H,14,18)
InChIKeyFGTQUHWMHVVOEW-UHFFFAOYSA-N
XLogP-0.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 72876019
2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 119066087
1-methyl-3-propyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
CID 72917154
N-[[4-(methoxymethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136517116
N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 166383905
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
CID 126796932
N-[2-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 166307348
N-[2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 164631185
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide (CID 136567327) is N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide is O=C(NCCS(=O)(=O)N1CCCC1)c1cnc2n1CCC2.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
The InChIKey is FGTQUHWMHVVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c18-13(11-10-15-12-4-3-8-17(11)12)14-5-9-21(19,20)16-6-1-2-7-16/h10H,1-9H2,(H,14,18).
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 136567327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).