N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide

C10H19F3N2O2S — CID 155399157

IUPACN-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
SMILESNCCC1CCC(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)7-18(16,17)15-9-3-1-8(2-4-9)5-6-14/h8-9,15H,1-7,14H2
InChIKeyDYORCUNHROWRGT-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds5

About N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide

N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 155399157) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID155399157
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
SMILESNCCC1CCC(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)7-18(16,17)15-9-3-1-8(2-4-9)5-6-14/h8-9,15H,1-7,14H2
InChIKeyDYORCUNHROWRGT-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide (CID 155399157) is N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide is NCCC1CCC(NS(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is DYORCUNHROWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)7-18(16,17)15-9-3-1-8(2-4-9)5-6-14/h8-9,15H,1-7,14H2.
What are the key properties of N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide?
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 155399157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).