2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide

C7H12N4O4S — CID 61131501

IUPAC2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O4S/c8-16(14,15)3-1-2-9-6(12)5-4-10-7(13)11-5/h4H,1-3H2,(H,9,12)(H2,8,14,15)(H2,10,11,13)
InChIKeyDDDOQZRSAGZUOT-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.89
Rot. Bonds5

About 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide

2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 61131501) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID61131501
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O4S/c8-16(14,15)3-1-2-9-6(12)5-4-10-7(13)11-5/h4H,1-3H2,(H,9,12)(H2,8,14,15)(H2,10,11,13)
InChIKeyDDDOQZRSAGZUOT-UHFFFAOYSA-N
XLogP-1.89
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
2-oxo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 61129579
4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
CID 61131829
2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
CID 43600464
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid
CID 63931173
4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
CID 62077959
6-oxo-N-(2-sulfamoylethyl)-1H-pyridine-2-carboxamide
CID 107261803
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
N-(2-bromo-4-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61128605

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide (CID 61131501) is 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide is NS(=O)(=O)CCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is DDDOQZRSAGZUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c8-16(14,15)3-1-2-9-6(12)5-4-10-7(13)11-5/h4H,1-3H2,(H,9,12)(H2,8,14,15)(H2,10,11,13).
What are the key properties of 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of -1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 61131501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).