N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide

C13H23N3O3S — CID 65121361

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2cnc(C)[nH]2)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-4-6-13(17,7-5-11)9-15-20(18,19)12-8-14-10(2)16-12/h8,11,15,17H,3-7,9H2,1-2H3,(H,14,16)
InChIKeyLHEOMPDELRECFF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.33
Rot. Bonds5

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 65121361) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID65121361
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2cnc(C)[nH]2)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-4-6-13(17,7-5-11)9-15-20(18,19)12-8-14-10(2)16-12/h8,11,15,17H,3-7,9H2,1-2H3,(H,14,16)
InChIKeyLHEOMPDELRECFF-UHFFFAOYSA-N
XLogP1.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 65121361) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide is CCC1CCC(O)(CNS(=O)(=O)c2cnc(C)[nH]2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is LHEOMPDELRECFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-11-4-6-13(17,7-5-11)9-15-20(18,19)12-8-14-10(2)16-12/h8,11,15,17H,3-7,9H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 65121361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).