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

C13H24N4O2S — CID 79122800

IUPAC2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)C2CCC(NC)CC2)[nH]1
InChIInChI=1S/C13H24N4O2S/c1-4-12-15-9-13(16-12)20(18,19)17(3)11-7-5-10(14-2)6-8-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyKFAVSXVLMCQYSE-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.12
Rot. Bonds5

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

2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide (PubChem CID 79122800) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
PubChem CID79122800
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)C2CCC(NC)CC2)[nH]1
InChIInChI=1S/C13H24N4O2S/c1-4-12-15-9-13(16-12)20(18,19)17(3)11-7-5-10(14-2)6-8-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyKFAVSXVLMCQYSE-UHFFFAOYSA-N
XLogP1.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide (CID 79122800) is 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(C)C2CCC(NC)CC2)[nH]1.
What is the InChIKey of 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide?
The InChIKey is KFAVSXVLMCQYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-12-15-9-13(16-12)20(18,19)17(3)11-7-5-10(14-2)6-8-11/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79122800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).