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

C12H24N2S — CID 66422116

IUPAC3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCC1CCCCN1CCC1CSCCN1
InChIInChI=1S/C12H24N2S/c1-11-4-2-3-7-14(11)8-5-12-10-15-9-6-13-12/h11-13H,2-10H2,1H3
InChIKeyWZXLLUVXSKSPEH-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.96
Rot. Bonds3

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

3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine (PubChem CID 66422116) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
PubChem CID66422116
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCC1CCCCN1CCC1CSCCN1
InChIInChI=1S/C12H24N2S/c1-11-4-2-3-7-14(11)8-5-12-10-15-9-6-13-12/h11-13H,2-10H2,1H3
InChIKeyWZXLLUVXSKSPEH-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422321
3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66420348
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
3-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420355
3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
CID 66422527
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 66419967
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
2,4-dimethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 62331966
3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 66422719

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine (CID 66422116) is 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine is CC1CCCCN1CCC1CSCCN1.
What is the InChIKey of 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine?
The InChIKey is WZXLLUVXSKSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11-4-2-3-7-14(11)8-5-12-10-15-9-6-13-12/h11-13H,2-10H2,1H3.
What are the key properties of 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine?
3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine has a molecular weight of 228.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66422116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).