N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide

C12H22N4O2S — CID 63766956

IUPACN-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCN)C2CCCCC2)c1
InChIInChI=1S/C12H22N4O2S/c1-15-9-12(14-10-15)19(17,18)16(8-7-13)11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3
InChIKeyHPEHROXWUFTOCP-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.70
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide

N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide (PubChem CID 63766956) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
PubChem CID63766956
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCN)C2CCCCC2)c1
InChIInChI=1S/C12H22N4O2S/c1-15-9-12(14-10-15)19(17,18)16(8-7-13)11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3
InChIKeyHPEHROXWUFTOCP-UHFFFAOYSA-N
XLogP0.70
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide (CID 63766956) is N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(CCN)C2CCCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide?
The InChIKey is HPEHROXWUFTOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-15-9-12(14-10-15)19(17,18)16(8-7-13)11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide?
N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63766956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).