3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

C7H14F3N3O3S — CID 114813019

IUPAC3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESNCC1COCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)5-12-17(14,15)13-1-2-16-4-6(13)3-11/h6,12H,1-5,11H2
InChIKeyOMPXKGRJADVLOH-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.96
Rot. Bonds4

About 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (PubChem CID 114813019) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
PubChem CID114813019
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC Name3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESNCC1COCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)5-12-17(14,15)13-1-2-16-4-6(13)3-11/h6,12H,1-5,11H2
InChIKeyOMPXKGRJADVLOH-UHFFFAOYSA-N
XLogP-0.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-(morpholin-4-yl)propan-1-amine
CID 15892806
2,2,2-trifluoro-N-(morpholin-3-ylmethyl)ethanamine
CID 65547504
[4-[2-(2,2,2-Trifluoroethoxy)ethyl]morpholin-3-yl]methanamine
CID 83096048
[4-[2-(Trifluoromethoxy)ethyl]morpholin-3-yl]methanamine
CID 83096053
[4-(2,2-Difluoroethyl)morpholin-3-yl]methanamine
CID 83096643
[4-(2,2,2-Trifluoroethyl)morpholin-3-yl]methanamine
CID 83096646
(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropan-1-amine
CID 93002029
(2R)-3,3,3-trifluoro-2-morpholin-4-ylpropan-1-amine
CID 93002030
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837
2,2,2-trifluoro-N-(morpholin-3-ylmethylsulfamoyl)ethanamine
CID 103548956
N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
CID 107493822
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 113966290

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (CID 114813019) is 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is NCC1COCCN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The InChIKey is OMPXKGRJADVLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c8-7(9,10)5-12-17(14,15)13-1-2-16-4-6(13)3-11/h6,12H,1-5,11H2.
What are the key properties of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide has a molecular weight of 277.27 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114813019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).