3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide

C9H17N3O2S — CID 170368754

IUPAC3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cncn1C
InChIInChI=1S/C9H17N3O2S/c1-8(2)4-5-11-15(13,14)9-6-10-7-12(9)3/h6-8,11H,4-5H2,1-3H3
InChIKeyIWBXURSSXXPEDW-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.74
Rot. Bonds5

About 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide

3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide (PubChem CID 170368754) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide
PubChem CID170368754
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cncn1C
InChIInChI=1S/C9H17N3O2S/c1-8(2)4-5-11-15(13,14)9-6-10-7-12(9)3/h6-8,11H,4-5H2,1-3H3
InChIKeyIWBXURSSXXPEDW-UHFFFAOYSA-N
XLogP0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide (CID 170368754) is 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide is CC(C)CCNS(=O)(=O)c1cncn1C.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide?
The InChIKey is IWBXURSSXXPEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-8(2)4-5-11-15(13,14)9-6-10-7-12(9)3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide?
3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide is sourced from PubChem (CID 170368754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).