3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine

C13H26N2S — CID 66420348

IUPAC3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCC1CCCN(CCC2CSCCN2)C1C
InChIInChI=1S/C13H26N2S/c1-11-4-3-7-15(12(11)2)8-5-13-10-16-9-6-14-13/h11-14H,3-10H2,1-2H3
InChIKeySJFZGRTWRVYJCT-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds3

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

3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine (PubChem CID 66420348) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
PubChem CID66420348
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCC1CCCN(CCC2CSCCN2)C1C
InChIInChI=1S/C13H26N2S/c1-11-4-3-7-15(12(11)2)8-5-13-10-16-9-6-14-13/h11-14H,3-10H2,1-2H3
InChIKeySJFZGRTWRVYJCT-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422116
2,3-dimethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 62124094
3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422321
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343
2,3-dimethyl-1-(2-piperidin-3-ylethyl)piperidine
CID 62357037
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
4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 66419967
3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 66422719

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine (CID 66420348) is 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine is CC1CCCN(CCC2CSCCN2)C1C.
What is the InChIKey of 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine?
The InChIKey is SJFZGRTWRVYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11-4-3-7-15(12(11)2)8-5-13-10-16-9-6-14-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine?
3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66420348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).