2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine

C11H21F3N2O2S2 — CID 66381944

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCSCC1S(=O)(=O)CC)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2S2/c1-3-8(15)10(11(12,13)14)16-5-6-19-7-9(16)20(17,18)4-2/h8-10H,3-7,15H2,1-2H3
InChIKeyICBQSTUSDDAYEA-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 66381944) has the molecular formula C11H21F3N2O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID66381944
Molecular FormulaC11H21F3N2O2S2
Molecular Weight334.43 g/mol
Exact Mass334.10
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCSCC1S(=O)(=O)CC)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2S2/c1-3-8(15)10(11(12,13)14)16-5-6-19-7-9(16)20(17,18)4-2/h8-10H,3-7,15H2,1-2H3
InChIKeyICBQSTUSDDAYEA-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.46
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)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine (CID 66381944) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CCSCC1S(=O)(=O)CC)C(F)(F)F.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is ICBQSTUSDDAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S2/c1-3-8(15)10(11(12,13)14)16-5-6-19-7-9(16)20(17,18)4-2/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 334.43 g/mol, XLogP of 1.46, 5 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)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 66381944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).