3-(4H-1,4-thiazin-3-yl)morpholine

C8H12N2OS — CID 146258071

IUPAC3-(4H-1,4-thiazin-3-yl)morpholine
SMILESC1=CSC=C(C2COCCN2)N1
InChIInChI=1S/C8H12N2OS/c1-3-11-5-7(9-1)8-6-12-4-2-10-8/h2,4,6-7,9-10H,1,3,5H2
InChIKeyCANNHCGLTJYUNY-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.62
Rot. Bonds1

About 3-(4H-1,4-thiazin-3-yl)morpholine

3-(4H-1,4-thiazin-3-yl)morpholine (PubChem CID 146258071) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(4H-1,4-thiazin-3-yl)morpholine.

Molecular Properties

Compound Name3-(4H-1,4-thiazin-3-yl)morpholine
PubChem CID146258071
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-(4H-1,4-thiazin-3-yl)morpholine
SMILESC1=CSC=C(C2COCCN2)N1
InChIInChI=1S/C8H12N2OS/c1-3-11-5-7(9-1)8-6-12-4-2-10-8/h2,4,6-7,9-10H,1,3,5H2
InChIKeyCANNHCGLTJYUNY-UHFFFAOYSA-N
XLogP0.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4H-1,4-thiazin-3-yl)morpholine?
The IUPAC name of 3-(4H-1,4-thiazin-3-yl)morpholine (CID 146258071) is 3-(4H-1,4-thiazin-3-yl)morpholine.
What is the SMILES notation for 3-(4H-1,4-thiazin-3-yl)morpholine?
The canonical SMILES for 3-(4H-1,4-thiazin-3-yl)morpholine is C1=CSC=C(C2COCCN2)N1.
What is the InChIKey of 3-(4H-1,4-thiazin-3-yl)morpholine?
The InChIKey is CANNHCGLTJYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-11-5-7(9-1)8-6-12-4-2-10-8/h2,4,6-7,9-10H,1,3,5H2.
What are the key properties of 3-(4H-1,4-thiazin-3-yl)morpholine?
3-(4H-1,4-thiazin-3-yl)morpholine has a molecular weight of 184.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-1,4-thiazin-3-yl)morpholine is sourced from PubChem (CID 146258071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).