2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide

C10H19N3O2S — CID 103908379

IUPAC2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C10H19N3O2S/c1-5-10(4,6-2)13-16(14,15)9-7-11-8(3)12-9/h7,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyGIVHOESIKKDCMF-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.58
Rot. Bonds5

About 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide

2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide (PubChem CID 103908379) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
PubChem CID103908379
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C10H19N3O2S/c1-5-10(4,6-2)13-16(14,15)9-7-11-8(3)12-9/h7,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyGIVHOESIKKDCMF-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
2-methyl-1H-imidazole-5-sulfonyl chloride
CID 10583549
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638
N-cyclopropyl-1H-imidazole-4-sulfonamide
CID 54593460
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 62999490
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64147344
N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64147345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide (CID 103908379) is 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide is CCC(C)(CC)NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is GIVHOESIKKDCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-10(4,6-2)13-16(14,15)9-7-11-8(3)12-9/h7,13H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103908379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).