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

C12H21F3N2S — CID 64757603

IUPAC[1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCSCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-2-1-3-11(8-10,9-16)17-4-6-18-7-5-17/h10H,1-9,16H2
InChIKeyQOORNLFBMDBQQE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.49
Rot. Bonds2

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

[1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64757603) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64757603
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name[1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCSCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-2-1-3-11(8-10,9-16)17-4-6-18-7-5-17/h10H,1-9,16H2
InChIKeyQOORNLFBMDBQQE-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64757603) is [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CCSCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QOORNLFBMDBQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)10-2-1-3-11(8-10,9-16)17-4-6-18-7-5-17/h10H,1-9,16H2.
What are the key properties of [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 282.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64757603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).