1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide

C9H17N3O2S — CID 71969893

IUPAC1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C9H17N3O2S/c1-5-8(2)12-6-9(10-7-12)15(13,14)11(3)4/h6-8H,5H2,1-4H3
InChIKeyUTMXRGDOXNBZBW-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.10
Rot. Bonds4

About 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide

1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide (PubChem CID 71969893) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
PubChem CID71969893
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C9H17N3O2S/c1-5-8(2)12-6-9(10-7-12)15(13,14)11(3)4/h6-8H,5H2,1-4H3
InChIKeyUTMXRGDOXNBZBW-UHFFFAOYSA-N
XLogP1.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide?
The IUPAC name of 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide (CID 71969893) is 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide is CCC(C)n1cnc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide?
The InChIKey is UTMXRGDOXNBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-8(2)12-6-9(10-7-12)15(13,14)11(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide?
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 71969893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).