N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide

C12H26N2O2S — CID 62008621

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)CC)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-11-6-8-12(10-13,9-7-11)14(3)17(15,16)5-2/h11H,4-10,13H2,1-3H3
InChIKeyHQHFGZYNHIEJTK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.57
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide (PubChem CID 62008621) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide
PubChem CID62008621
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)CC)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-11-6-8-12(10-13,9-7-11)14(3)17(15,16)5-2/h11H,4-10,13H2,1-3H3
InChIKeyHQHFGZYNHIEJTK-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008815
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009821
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62010618
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62010626
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83048543
N-[1-(aminomethyl)-3-methylcyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83048544
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068387
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]propane-2-sulfonamide
CID 58821377
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
CID 58821714
N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide
CID 70870749

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide (CID 62008621) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide is CCC1CCC(CN)(N(C)S(=O)(=O)CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide?
The InChIKey is HQHFGZYNHIEJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-11-6-8-12(10-13,9-7-11)14(3)17(15,16)5-2/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide is sourced from PubChem (CID 62008621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).