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

C12H23F3N2O2S — CID 103970342

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-10-11(9-16)5-2-1-3-6-11/h17H,1-10,16H2
InChIKeyJLVUPZALZZTPHB-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.16
Rot. Bonds7

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

N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 103970342) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID103970342
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-10-11(9-16)5-2-1-3-6-11/h17H,1-10,16H2
InChIKeyJLVUPZALZZTPHB-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[1-(aminomethyl)cyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 9994276
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide
CID 163513892
N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058527
N-[(2-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058545
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415
N-[[1-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060159
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067714
N-[[1-(bromomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 103969973
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103970359
N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide
CID 114384068
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812939

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 103970342) is N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is NCC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is JLVUPZALZZTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-10-11(9-16)5-2-1-3-6-11/h17H,1-10,16H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 103970342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).