3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine

C14H28N2S — CID 112734466

IUPAC3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCCC1CCC(C)N(CCC2CSCCN2)C1
InChIInChI=1S/C14H28N2S/c1-3-13-5-4-12(2)16(10-13)8-6-14-11-17-9-7-15-14/h12-15H,3-11H2,1-2H3
InChIKeyWVGFQCYRZKQOIM-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds4

About 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine

3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine (PubChem CID 112734466) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
PubChem CID112734466
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCCC1CCC(C)N(CCC2CSCCN2)C1
InChIInChI=1S/C14H28N2S/c1-3-13-5-4-12(2)16(10-13)8-6-14-11-17-9-7-15-14/h12-15H,3-11H2,1-2H3
InChIKeyWVGFQCYRZKQOIM-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422116
3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422321
3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66420348
1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
CID 130815946
3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 66422719
2-ethyl-4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 114218488
3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
CID 66422527
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
3-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420355
N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
CID 66422522
1-butyl-7-methyl-3-propyl-1,4-diazepane
CID 64870790
1-decyl-3-ethyl-7-methyl-1,4-diazepane
CID 64869451

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine (CID 112734466) is 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine is CCC1CCC(C)N(CCC2CSCCN2)C1.
What is the InChIKey of 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine?
The InChIKey is WVGFQCYRZKQOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-13-5-4-12(2)16(10-13)8-6-14-11-17-9-7-15-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine?
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 112734466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).