N-cyclopropyl-1H-imidazole-5-sulfonamide

C6H9N3O2S — CID 54593460

IUPACN-cyclopropyl-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NC1CC1)c1cnc[nH]1
InChIInChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)
InChIKeyJRINQCODSFQXLT-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.15
Rot. Bonds3

About N-cyclopropyl-1H-imidazole-5-sulfonamide

N-cyclopropyl-1H-imidazole-5-sulfonamide (PubChem CID 54593460) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-cyclopropyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1H-imidazole-5-sulfonamide
PubChem CID54593460
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-cyclopropyl-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NC1CC1)c1cnc[nH]1
InChIInChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)
InChIKeyJRINQCODSFQXLT-UHFFFAOYSA-N
XLogP-0.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-1H-imidazole-5-sulfonamide (CID 54593460) is N-cyclopropyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-1H-imidazole-5-sulfonamide is O=S(=O)(NC1CC1)c1cnc[nH]1.
What is the InChIKey of N-cyclopropyl-1H-imidazole-5-sulfonamide?
The InChIKey is JRINQCODSFQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8).
What are the key properties of N-cyclopropyl-1H-imidazole-5-sulfonamide?
N-cyclopropyl-1H-imidazole-5-sulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 54593460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).