1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide

C9H15N3O2S — CID 81340861

IUPAC1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CCC1CC1
InChIInChI=1S/C9H15N3O2S/c1-7-11-9(15(10,13)14)6-12(7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,10,13,14)
InChIKeyGFKHYZXTQREQOX-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.64
Rot. Bonds4

About 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide

1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide (PubChem CID 81340861) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide
PubChem CID81340861
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CCC1CC1
InChIInChI=1S/C9H15N3O2S/c1-7-11-9(15(10,13)14)6-12(7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,10,13,14)
InChIKeyGFKHYZXTQREQOX-UHFFFAOYSA-N
XLogP0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide (CID 81340861) is 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide?
The InChIKey is GFKHYZXTQREQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-11-9(15(10,13)14)6-12(7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,10,13,14).
What are the key properties of 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide?
1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 81340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).