2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H19F3N2S — CID 103366363

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC1CN(CC(CN)C(F)(F)F)CC(C)S1
InChIInChI=1S/C10H19F3N2S/c1-7-4-15(5-8(2)16-7)6-9(3-14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeySQJLXWLUJRIQCU-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.95
Rot. Bonds3

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366363) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366363
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC1CN(CC(CN)C(F)(F)F)CC(C)S1
InChIInChI=1S/C10H19F3N2S/c1-7-4-15(5-8(2)16-7)6-9(3-14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeySQJLXWLUJRIQCU-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366363) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is CC1CN(CC(CN)C(F)(F)F)CC(C)S1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is SQJLXWLUJRIQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-7-4-15(5-8(2)16-7)6-9(3-14)10(11,12)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 256.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).