[1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

C14H25F3N2S — CID 64755693

IUPAC[1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCC(C(F)(F)F)CC2)CC(C)S1
InChIInChI=1S/C14H25F3N2S/c1-10-7-19(8-11(2)20-10)13(9-18)5-3-12(4-6-13)14(15,16)17/h10-12H,3-9,18H2,1-2H3
InChIKeyCMTXFCGNEYCXJI-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.26
Rot. Bonds2

About [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

[1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64755693) has the molecular formula C14H25F3N2S and a molecular weight of 310.43 g/mol. Its IUPAC name is [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64755693
Molecular FormulaC14H25F3N2S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC Name[1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCC(C(F)(F)F)CC2)CC(C)S1
InChIInChI=1S/C14H25F3N2S/c1-10-7-19(8-11(2)20-10)13(9-18)5-3-12(4-6-13)14(15,16)17/h10-12H,3-9,18H2,1-2H3
InChIKeyCMTXFCGNEYCXJI-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine 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 [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64755693) is [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is CC1CN(C2(CN)CCC(C(F)(F)F)CC2)CC(C)S1.
What is the InChIKey of [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CMTXFCGNEYCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2S/c1-10-7-19(8-11(2)20-10)13(9-18)5-3-12(4-6-13)14(15,16)17/h10-12H,3-9,18H2,1-2H3.
What are the key properties of [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 310.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64755693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).