N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide

C14H30N2O2S — CID 62008620

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C1(CN)CCC(CC)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-6-11-19(17,18)16(3)14(12-15)9-7-13(5-2)8-10-14/h13H,4-12,15H2,1-3H3
InChIKeyPPJUDKYUYQPPDT-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.35
Rot. Bonds7

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide (PubChem CID 62008620) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide
PubChem CID62008620
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C1(CN)CCC(CC)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-6-11-19(17,18)16(3)14(12-15)9-7-13(5-2)8-10-14/h13H,4-12,15H2,1-3H3
InChIKeyPPJUDKYUYQPPDT-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.35
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-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide (CID 62008620) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)C1(CN)CCC(CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide?
The InChIKey is PPJUDKYUYQPPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-6-11-19(17,18)16(3)14(12-15)9-7-13(5-2)8-10-14/h13H,4-12,15H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.35, 7 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-methylbutane-1-sulfonamide is sourced from PubChem (CID 62008620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).