2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide

C6H9N3O2S — CID 19031519

IUPAC2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1CC1c1cnc[nH]1
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)6-1-4(6)5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H2,7,10,11)
InChIKeyLOXQBJMMEJZFHP-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.45
Rot. Bonds2

About 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide

2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide (PubChem CID 19031519) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide
PubChem CID19031519
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1CC1c1cnc[nH]1
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)6-1-4(6)5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H2,7,10,11)
InChIKeyLOXQBJMMEJZFHP-UHFFFAOYSA-N
XLogP-0.45
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide?
The IUPAC name of 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide (CID 19031519) is 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide is NS(=O)(=O)C1CC1c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide?
The InChIKey is LOXQBJMMEJZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-12(10,11)6-1-4(6)5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H2,7,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide?
2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 19031519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).