3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine

C10H19F3N2O2S2 — CID 66381747

IUPAC3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C(C)N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-3-19(16,17)8-6-18-5-4-15(8)9(7(2)14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyGLMUJAARKXVNCE-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.07
Rot. Bonds4

About 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine

3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine (PubChem CID 66381747) has the molecular formula C10H19F3N2O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
PubChem CID66381747
Molecular FormulaC10H19F3N2O2S2
Molecular Weight320.40 g/mol
Exact Mass320.08
IUPAC Name3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C(C)N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-3-19(16,17)8-6-18-5-4-15(8)9(7(2)14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyGLMUJAARKXVNCE-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine (CID 66381747) is 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine is CCS(=O)(=O)C1CSCCN1C(C(C)N)C(F)(F)F.
What is the InChIKey of 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is GLMUJAARKXVNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S2/c1-3-19(16,17)8-6-18-5-4-15(8)9(7(2)14)10(11,12)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine?
3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine has a molecular weight of 320.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 66381747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).