3-(1,2-dihydropyridin-6-yl)thiomorpholine

C9H14N2S — CID 173113888

IUPAC3-(1,2-dihydropyridin-6-yl)thiomorpholine
SMILESC1=CCNC(C2CSCCN2)=C1
InChIInChI=1S/C9H14N2S/c1-2-4-10-8(3-1)9-7-12-6-5-11-9/h1-3,9-11H,4-7H2
InChIKeyWCJYTYGJGLOBKE-UHFFFAOYSA-N
MW182.29 g/mol
LogP0.73
Rot. Bonds1

About 3-(1,2-dihydropyridin-6-yl)thiomorpholine

3-(1,2-dihydropyridin-6-yl)thiomorpholine (PubChem CID 173113888) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-6-yl)thiomorpholine.

Molecular Properties

Compound Name3-(1,2-dihydropyridin-6-yl)thiomorpholine
PubChem CID173113888
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-(1,2-dihydropyridin-6-yl)thiomorpholine
SMILESC1=CCNC(C2CSCCN2)=C1
InChIInChI=1S/C9H14N2S/c1-2-4-10-8(3-1)9-7-12-6-5-11-9/h1-3,9-11H,4-7H2
InChIKeyWCJYTYGJGLOBKE-UHFFFAOYSA-N
XLogP0.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,2-dihydropyridin-6-yl)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

1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]azepine
CID 69158448
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-pyridin-3-ylthiomorpholine
CID 3873279
2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
CID 83871240
1,2,3,3a,4,5-hexahydroimidazo[4,5-b]azepine
CID 68704974
3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
CID 82397404
5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one
CID 82397158
2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
CID 105441296
3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thiomorpholine
CID 105484126
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
3-(4-ethoxyphenyl)thiomorpholine
CID 54164455
3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine
CID 105463494

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-6-yl)thiomorpholine?
The IUPAC name of 3-(1,2-dihydropyridin-6-yl)thiomorpholine (CID 173113888) is 3-(1,2-dihydropyridin-6-yl)thiomorpholine.
What is the SMILES notation for 3-(1,2-dihydropyridin-6-yl)thiomorpholine?
The canonical SMILES for 3-(1,2-dihydropyridin-6-yl)thiomorpholine is C1=CCNC(C2CSCCN2)=C1.
What is the InChIKey of 3-(1,2-dihydropyridin-6-yl)thiomorpholine?
The InChIKey is WCJYTYGJGLOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-4-10-8(3-1)9-7-12-6-5-11-9/h1-3,9-11H,4-7H2.
What are the key properties of 3-(1,2-dihydropyridin-6-yl)thiomorpholine?
3-(1,2-dihydropyridin-6-yl)thiomorpholine has a molecular weight of 182.29 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydropyridin-6-yl)thiomorpholine is sourced from PubChem (CID 173113888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).