4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide

C9H17N3O2S — CID 14691490

IUPAC4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C(C)(C)C)c1
InChIInChI=1S/C9H17N3O2S/c1-9(2,3)8-6-12(7-10-8)15(13,14)11(4)5/h6-7H,1-5H3
InChIKeyRCUWDRGKNMHACX-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.84
Rot. Bonds2

About 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide

4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 14691490) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide
PubChem CID14691490
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C(C)(C)C)c1
InChIInChI=1S/C9H17N3O2S/c1-9(2,3)8-6-12(7-10-8)15(13,14)11(4)5/h6-7H,1-5H3
InChIKeyRCUWDRGKNMHACX-UHFFFAOYSA-N
XLogP0.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide (CID 14691490) is 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is RCUWDRGKNMHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(2,3)8-6-12(7-10-8)15(13,14)11(4)5/h6-7H,1-5H3.
What are the key properties of 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide?
4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 14691490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).