2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H21F3N2O2S2 — CID 66377157

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S2/c1-3-20(17,18)10-7-19-5-4-16(10)9(2)6-15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyZKXPASOSJNDGAT-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.34
Rot. Bonds6

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 66377157) has the molecular formula C11H21F3N2O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID66377157
Molecular FormulaC11H21F3N2O2S2
Molecular Weight334.43 g/mol
Exact Mass334.10
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S2/c1-3-20(17,18)10-7-19-5-4-16(10)9(2)6-15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyZKXPASOSJNDGAT-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 66377157) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCS(=O)(=O)C1CSCCN1C(C)CNCC(F)(F)F.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZKXPASOSJNDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S2/c1-3-20(17,18)10-7-19-5-4-16(10)9(2)6-15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 334.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 66377157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).