1-(3-methylbutyl)imidazole-4-sulfonamide

C8H15N3O2S — CID 81339695

IUPAC1-(3-methylbutyl)imidazole-4-sulfonamide
SMILESCC(C)CCn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C8H15N3O2S/c1-7(2)3-4-11-5-8(10-6-11)14(9,12)13/h5-7H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyBJSSNCBNAVQWHW-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.58
Rot. Bonds4

About 1-(3-methylbutyl)imidazole-4-sulfonamide

1-(3-methylbutyl)imidazole-4-sulfonamide (PubChem CID 81339695) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(3-methylbutyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-methylbutyl)imidazole-4-sulfonamide
PubChem CID81339695
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-(3-methylbutyl)imidazole-4-sulfonamide
SMILESCC(C)CCn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C8H15N3O2S/c1-7(2)3-4-11-5-8(10-6-11)14(9,12)13/h5-7H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyBJSSNCBNAVQWHW-UHFFFAOYSA-N
XLogP0.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(3-methylbutyl)imidazole-4-sulfonamide (CID 81339695) is 1-(3-methylbutyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(3-methylbutyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(3-methylbutyl)imidazole-4-sulfonamide is CC(C)CCn1cnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-(3-methylbutyl)imidazole-4-sulfonamide?
The InChIKey is BJSSNCBNAVQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(2)3-4-11-5-8(10-6-11)14(9,12)13/h5-7H,3-4H2,1-2H3,(H2,9,12,13).
What are the key properties of 1-(3-methylbutyl)imidazole-4-sulfonamide?
1-(3-methylbutyl)imidazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81339695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).