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

C11H24N2O2S — CID 28940762

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)CC)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-10-5-7-11(9-12,8-6-10)13-16(14,15)4-2/h10,13H,3-9,12H2,1-2H3
InChIKeyHYQWTMDSMYAWRU-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.22
Rot. Bonds5

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide (PubChem CID 28940762) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide
PubChem CID28940762
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)CC)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-10-5-7-11(9-12,8-6-10)13-16(14,15)4-2/h10,13H,3-9,12H2,1-2H3
InChIKeyHYQWTMDSMYAWRU-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1S)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850243
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850244
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide
CID 120607128
N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide
CID 12991224
(4-Aminocyclohexyl)methanesulfonamide
CID 17973482
N-(2-cyclohexylethyl)-N-propanesulfonylamine
CID 18361106
N-[2-[4-aminocyclohexyl]propyl] 2-propanesulfonamide
CID 22624693

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide (CID 28940762) is N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide is CCC1CCC(CN)(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide?
The InChIKey is HYQWTMDSMYAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-10-5-7-11(9-12,8-6-10)13-16(14,15)4-2/h10,13H,3-9,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide is sourced from PubChem (CID 28940762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).