[1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C13H23F3N2S — CID 64757611

IUPAC[1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CSCCN1C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2S/c1-10-8-19-6-5-18(10)12(9-17)4-2-3-11(7-12)13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyIEULKQCVRITMDS-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.87
Rot. Bonds2

About [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64757611) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64757611
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name[1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CSCCN1C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2S/c1-10-8-19-6-5-18(10)12(9-17)4-2-3-11(7-12)13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyIEULKQCVRITMDS-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64757611) is [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is CC1CSCCN1C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is IEULKQCVRITMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-10-8-19-6-5-18(10)12(9-17)4-2-3-11(7-12)13(14,15)16/h10-11H,2-9,17H2,1H3.
What are the key properties of [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64757611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).