N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide

C13H23N3O2S — CID 78996134

IUPACN-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C13H23N3O2S/c1-11(2)7-8-16(12-5-3-4-6-12)19(17,18)13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyVVEINUHDODUATG-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.39
Rot. Bonds6

About N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide

N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide (PubChem CID 78996134) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide
PubChem CID78996134
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C13H23N3O2S/c1-11(2)7-8-16(12-5-3-4-6-12)19(17,18)13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyVVEINUHDODUATG-UHFFFAOYSA-N
XLogP2.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide (CID 78996134) is N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide is CC(C)CCN(C1CCCC1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is VVEINUHDODUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11(2)7-8-16(12-5-3-4-6-12)19(17,18)13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide?
N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 78996134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).