N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide

C12H23F3N2O2S — CID 83068012

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2S/c1-10-3-6-11(9-16,7-4-10)17-20(18,19)8-2-5-12(13,14)15/h10,17H,2-9,16H2,1H3
InChIKeyMUZDBAMNVBLNRH-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.16
Rot. Bonds6

About N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068012) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068012
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2S/c1-10-3-6-11(9-16,7-4-10)17-20(18,19)8-2-5-12(13,14)15/h10,17H,2-9,16H2,1H3
InChIKeyMUZDBAMNVBLNRH-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057775
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
1-(1-aminocyclohexyl)-N-(2,2-difluoropropyl)-N-methylmethanesulfonamide
CID 71057852
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 172528636
N-[(1S,2S)-2-aminocyclohexyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
CID 9840394
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83068012) is N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide is CC1CCC(CN)(NS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is MUZDBAMNVBLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-10-3-6-11(9-16,7-4-10)17-20(18,19)8-2-5-12(13,14)15/h10,17H,2-9,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.16, 6 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]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).