3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine

C21H42N2S — CID 166718417

IUPAC3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine
SMILESCC(C)C1CCCC(C(C)CCC(C)C2CSCC(C(C)C)N2)N1
InChIInChI=1S/C21H42N2S/c1-14(2)18-8-7-9-19(22-18)16(5)10-11-17(6)21-13-24-12-20(23-21)15(3)4/h14-23H,7-13H2,1-6H3
InChIKeyIGEODUWDIHCUIB-UHFFFAOYSA-N
MW354.65 g/mol
LogP4.94
Rot. Bonds7

About 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine

3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine (PubChem CID 166718417) has the molecular formula C21H42N2S and a molecular weight of 354.65 g/mol. Its IUPAC name is 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine.

Molecular Properties

Compound Name3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine
PubChem CID166718417
Molecular FormulaC21H42N2S
Molecular Weight354.65 g/mol
Exact Mass354.31
IUPAC Name3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine
SMILESCC(C)C1CCCC(C(C)CCC(C)C2CSCC(C(C)C)N2)N1
InChIInChI=1S/C21H42N2S/c1-14(2)18-8-7-9-19(22-18)16(5)10-11-17(6)21-13-24-12-20(23-21)15(3)4/h14-23H,7-13H2,1-6H3
InChIKeyIGEODUWDIHCUIB-UHFFFAOYSA-N
XLogP4.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(1s,9Ar)-(octahydro-2h-quinolizin-1-yl)methyl]thio}propan-1-amine
CID 129887474
4-Fluoro-4-methyl-3-(thian-3-yl)piperidine
CID 115030335
2-ethyl-4-[2-[2-(2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-yl)ethylsulfanyl]ethyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline
CID 20374076
2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine
CID 20511469
3-Piperidin-4-ylthiomorpholine
CID 54406249
[(2S)-5-(2-octylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 59129893
1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine
CID 67755255
[(2S,4S,5R)-5-(2-octan-2-ylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 68536736
[(2S,4S,5R)-5-(1-octylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 68536737
[(2S,4S)-5-(2-octan-2-ylsulfanylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 69537497
2-Butan-2-yl-4-[2-[2-(2-butan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)ethylsulfanyl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 70551010
4-Methyl-3-(4-methylpiperidin-2-yl)thiomorpholine
CID 123673293

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine?
The IUPAC name of 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine (CID 166718417) is 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine.
What is the SMILES notation for 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine?
The canonical SMILES for 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine is CC(C)C1CCCC(C(C)CCC(C)C2CSCC(C(C)C)N2)N1.
What is the InChIKey of 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine?
The InChIKey is IGEODUWDIHCUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2S/c1-14(2)18-8-7-9-19(22-18)16(5)10-11-17(6)21-13-24-12-20(23-21)15(3)4/h14-23H,7-13H2,1-6H3.
What are the key properties of 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine?
3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine has a molecular weight of 354.65 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine is sourced from PubChem (CID 166718417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).