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

C10H19F3N2O2S2 — CID 66383040

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C10H19F3N2O2S2/c1-8(5-14-7-10(11,12)13)15-3-4-18-6-9(15)19(2,16)17/h8-9,14H,3-7H2,1-2H3
InChIKeyIOVYIKLFEJEZIW-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.95
Rot. Bonds5

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

2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 66383040) has the molecular formula C10H19F3N2O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID66383040
Molecular FormulaC10H19F3N2O2S2
Molecular Weight320.40 g/mol
Exact Mass320.08
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C10H19F3N2O2S2/c1-8(5-14-7-10(11,12)13)15-3-4-18-6-9(15)19(2,16)17/h8-9,14H,3-7H2,1-2H3
InChIKeyIOVYIKLFEJEZIW-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 66383040) is 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is IOVYIKLFEJEZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S2/c1-8(5-14-7-10(11,12)13)15-3-4-18-6-9(15)19(2,16)17/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 320.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 66383040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).