5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide

C14H18N4O2S — CID 63979084

IUPAC5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18N4O2S/c1-17-10-16-13(15)14(17)21(19,20)18(12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3
InChIKeyWGGDVXRSADUPBP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.36
Rot. Bonds5

About 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide

5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide (PubChem CID 63979084) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide
PubChem CID63979084
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18N4O2S/c1-17-10-16-13(15)14(17)21(19,20)18(12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3
InChIKeyWGGDVXRSADUPBP-UHFFFAOYSA-N
XLogP1.36
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide (CID 63979084) is 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide?
The InChIKey is WGGDVXRSADUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17-10-16-13(15)14(17)21(19,20)18(12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3.
What are the key properties of 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide?
5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63979084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).