N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine

C8H15F3N2O3S — CID 155354461

IUPACN-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine
SMILESCCNC[C@@H]1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H15F3N2O3S/c1-2-12-5-7-6-13(3-4-16-7)17(14,15)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyMJUYRFDXQZLDIC-SSDOTTSWSA-N
MW276.28 g/mol
LogP0.15
Rot. Bonds4

About N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine

N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine (PubChem CID 155354461) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine
PubChem CID155354461
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine
SMILESCCNC[C@@H]1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H15F3N2O3S/c1-2-12-5-7-6-13(3-4-16-7)17(14,15)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyMJUYRFDXQZLDIC-SSDOTTSWSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((morpholin-2-yl)methyl)methanesulfonamide
CID 43602761
Morpholine;trifluoromethanesulfonamide
CID 14407644
N-(3-morpholinopropyl)trifluoromethanesulfonamide
CID 20532969
1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide
CID 20571275
Morpholinium trifluoromethanesulfonamide
CID 21243367
N-methyl-1-[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 81685579
[4-(Trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 114398512
[4-(1,1,2,2,2-Pentafluoroethylsulfonyl)morpholin-2-yl]methanamine
CID 153573547
N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
CID 155354257
[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 155354463
2-methyl-N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424259
2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424310

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine (CID 155354461) is N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine is CCNC[C@@H]1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine?
The InChIKey is MJUYRFDXQZLDIC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-2-12-5-7-6-13(3-4-16-7)17(14,15)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine?
N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine has a molecular weight of 276.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 155354461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).