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

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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).