N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide

C9H17F3N2O2S — CID 115309376

IUPACN-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESNCC(NS(=O)(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-8(6-13)7-4-2-1-3-5-7/h7-8,14H,1-6,13H2
InChIKeyQMXPUQCYIADKKU-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.33
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 115309376) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID115309376
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESNCC(NS(=O)(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-8(6-13)7-4-2-1-3-5-7/h7-8,14H,1-6,13H2
InChIKeyQMXPUQCYIADKKU-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9-C,C,C-trifluoro-methanesulfonamide
CID 139189976
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 9994276
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
(3R)-3-amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11708674
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
(3S)-3-amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 58691845
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide (CID 115309376) is N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide is NCC(NS(=O)(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QMXPUQCYIADKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-8(6-13)7-4-2-1-3-5-7/h7-8,14H,1-6,13H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 115309376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).