N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide

C11H19N3O2S — CID 79872664

IUPACN-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H19N3O2S/c1-11(2)6-4-3-5-9(11)14-17(15,16)10-7-12-8-13-10/h7-9,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyFFZLRPMZHQPYBZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.66
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide

N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide (PubChem CID 79872664) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
PubChem CID79872664
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H19N3O2S/c1-11(2)6-4-3-5-9(11)14-17(15,16)10-7-12-8-13-10/h7-9,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyFFZLRPMZHQPYBZ-UHFFFAOYSA-N
XLogP1.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide (CID 79872664) is N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide is CC1(C)CCCCC1NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide?
The InChIKey is FFZLRPMZHQPYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)6-4-3-5-9(11)14-17(15,16)10-7-12-8-13-10/h7-9,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide?
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79872664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).