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

C12H21F3N2S — CID 64753677

IUPAC[1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCSCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-1-3-11(9-16,4-2-10)17-5-7-18-8-6-17/h10H,1-9,16H2
InChIKeyIDEOAMOMJKGGKK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.49
Rot. Bonds2

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

[1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64753677) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64753677
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name[1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCSCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-1-3-11(9-16,4-2-10)17-5-7-18-8-6-17/h10H,1-9,16H2
InChIKeyIDEOAMOMJKGGKK-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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Related Compounds

[1-(Thiomorpholin-4-yl)cyclohexyl]methanamine
CID 28787090
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N-methylthiolan-3-amine
CID 64753687
[1-(1,4-Thiazepan-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64754089
[1-(3-Methylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755507
[1-(2,6-Dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755693
[1-Piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64756292
[1-Thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757603
[1-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757611
[1-(2,6-Dimethylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757811
[2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79956887
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632
N-(2-thiomorpholin-4-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844729

Frequently Asked Questions

What is the IUPAC name of [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64753677) is [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CCSCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is IDEOAMOMJKGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)10-1-3-11(9-16,4-2-10)17-5-7-18-8-6-17/h10H,1-9,16H2.
What are the key properties of [1-thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-thiomorpholin-4-yl-4-(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-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64753677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).