N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide

C11H21N3O2S — CID 21021033

IUPACN-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCC(C)(C)C)c1
InChIInChI=1S/C11H21N3O2S/c1-11(2,3)6-5-7-13-17(15,16)10-8-14(4)9-12-10/h8-9,13H,5-7H2,1-4H3
InChIKeySVGZXWZVYYRSQV-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.52
Rot. Bonds5

About N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide

N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide (PubChem CID 21021033) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
PubChem CID21021033
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCC(C)(C)C)c1
InChIInChI=1S/C11H21N3O2S/c1-11(2,3)6-5-7-13-17(15,16)10-8-14(4)9-12-10/h8-9,13H,5-7H2,1-4H3
InChIKeySVGZXWZVYYRSQV-UHFFFAOYSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide (CID 21021033) is N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCC(C)(C)C)c1.
What is the InChIKey of N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is SVGZXWZVYYRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-11(2,3)6-5-7-13-17(15,16)10-8-14(4)9-12-10/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 259.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 21021033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).