1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine

C16H32N2S — CID 67755255

IUPAC1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine
SMILESCC1CSC[C@@H](CNCC2CCCCCCC2)N1C
InChIInChI=1S/C16H32N2S/c1-14-12-19-13-16(18(14)2)11-17-10-15-8-6-4-3-5-7-9-15/h14-17H,3-13H2,1-2H3/t14?,16-/m1/s1
InChIKeyJXPFULCIOACEIJ-BZSJEYESSA-N
MW284.51 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine

1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine (PubChem CID 67755255) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine
PubChem CID67755255
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine
SMILESCC1CSC[C@@H](CNCC2CCCCCCC2)N1C
InChIInChI=1S/C16H32N2S/c1-14-12-19-13-16(18(14)2)11-17-10-15-8-6-4-3-5-7-9-15/h14-17H,3-13H2,1-2H3/t14?,16-/m1/s1
InChIKeyJXPFULCIOACEIJ-BZSJEYESSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Cyclooctylhexyl)thiomorpholine
CID 18958798
N-(2-Butylthio-2-methylpropyl)-N'-[2-mercapto-2-methyl-1-(4-methylpiperidino)methylpropyl]-ethylenediamine
CID 19981723
3-Cyclooctylthiomorpholine
CID 53710505
N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585248
4-Methyl-3-(4-methylpiperidin-2-yl)thiomorpholine
CID 123673293
N-(5-methylundecan-5-yl)thian-4-amine
CID 146436758
3-Propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine
CID 166718417
7-Ethyl-14-thia-16-azabicyclo[11.3.1]heptadecane-15-carbonitrile
CID 166975242
9-Ethyl-15-thia-17-azabicyclo[12.3.1]octadecane-16-carbonitrile
CID 166975250
7-Propan-2-yl-13-thia-15-azabicyclo[10.3.1]hexadecane-14-carbonitrile
CID 166975278
7-Ethyl-13-thia-15-azabicyclo[10.3.1]hexadecane-14-carbonitrile
CID 166975295
N-ethyl-2-[7-[[propan-2-yl(propyl)amino]methyl]thiocan-4-yl]-N-(thiomorpholin-2-ylmethyl)propan-1-amine
CID 167008686

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine?
The IUPAC name of 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine (CID 67755255) is 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine?
The canonical SMILES for 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine is CC1CSC[C@@H](CNCC2CCCCCCC2)N1C.
What is the InChIKey of 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine?
The InChIKey is JXPFULCIOACEIJ-BZSJEYESSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14-12-19-13-16(18(14)2)11-17-10-15-8-6-4-3-5-7-9-15/h14-17H,3-13H2,1-2H3/t14?,16-/m1/s1.
What are the key properties of 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine?
1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine has a molecular weight of 284.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine is sourced from PubChem (CID 67755255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).