N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide

C13H24N4O2S — CID 62374778

IUPACN-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C1(CN)CCCCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H24N4O2S/c1-3-17(13(10-14)7-5-4-6-8-13)20(18,19)12-9-16(2)11-15-12/h9,11H,3-8,10,14H2,1-2H3
InChIKeyHUPVDSILYWFQAS-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide

N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 62374778) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID62374778
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C1(CN)CCCCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H24N4O2S/c1-3-17(13(10-14)7-5-4-6-8-13)20(18,19)12-9-16(2)11-15-12/h9,11H,3-8,10,14H2,1-2H3
InChIKeyHUPVDSILYWFQAS-UHFFFAOYSA-N
XLogP1.09
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide (CID 62374778) is N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(C1(CN)CCCCC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is HUPVDSILYWFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-17(13(10-14)7-5-4-6-8-13)20(18,19)12-9-16(2)11-15-12/h9,11H,3-8,10,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62374778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).