2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine

C13H24F2N2S — CID 114224963

IUPAC2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2S/c1-17-5-6-18-9-12(17)11(16)7-10-3-2-4-13(14,15)8-10/h10-12H,2-9,16H2,1H3
InChIKeyGPQVOBHZRQFYCW-UHFFFAOYSA-N
MW278.41 g/mol
LogP2.58
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 114224963) has the molecular formula C13H24F2N2S and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID114224963
Molecular FormulaC13H24F2N2S
Molecular Weight278.41 g/mol
Exact Mass278.16
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2S/c1-17-5-6-18-9-12(17)11(16)7-10-3-2-4-13(14,15)8-10/h10-12H,2-9,16H2,1H3
InChIKeyGPQVOBHZRQFYCW-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129689
N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129690
N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 62871811
[1-Thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64753677
[1-(3-Methylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755507
[1-(2,6-Dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755693
[1-Thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757603

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 114224963) is 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine is CN1CCSCC1C(N)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is GPQVOBHZRQFYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2S/c1-17-5-6-18-9-12(17)11(16)7-10-3-2-4-13(14,15)8-10/h10-12H,2-9,16H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 278.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 114224963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).