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

C10H22N2O2S — CID 28940716

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-15(13,14)12-10(8-11)6-4-9(2)5-7-10/h9,12H,3-8,11H2,1-2H3
InChIKeyVWQBUYQQYWMGME-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.83
Rot. Bonds4

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

N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide (PubChem CID 28940716) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide
PubChem CID28940716
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-15(13,14)12-10(8-11)6-4-9(2)5-7-10/h9,12H,3-8,11H2,1-2H3
InChIKeyVWQBUYQQYWMGME-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067714
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide (CID 28940716) is N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide?
The InChIKey is VWQBUYQQYWMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-15(13,14)12-10(8-11)6-4-9(2)5-7-10/h9,12H,3-8,11H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide is sourced from PubChem (CID 28940716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).