4-(2H-1,3-benzothiazin-2-yl)morpholine

C12H14N2OS — CID 134999387

IUPAC4-(2H-1,3-benzothiazin-2-yl)morpholine
SMILESC1=NC(N2CCOCC2)Sc2ccccc21
InChIInChI=1S/C12H14N2OS/c1-2-4-11-10(3-1)9-13-12(16-11)14-5-7-15-8-6-14/h1-4,9,12H,5-8H2
InChIKeyPSFGUGQVBSCUMH-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.83
Rot. Bonds1

About 4-(2H-1,3-benzothiazin-2-yl)morpholine

4-(2H-1,3-benzothiazin-2-yl)morpholine (PubChem CID 134999387) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2H-1,3-benzothiazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(2H-1,3-benzothiazin-2-yl)morpholine
PubChem CID134999387
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(2H-1,3-benzothiazin-2-yl)morpholine
SMILESC1=NC(N2CCOCC2)Sc2ccccc21
InChIInChI=1S/C12H14N2OS/c1-2-4-11-10(3-1)9-13-12(16-11)14-5-7-15-8-6-14/h1-4,9,12H,5-8H2
InChIKeyPSFGUGQVBSCUMH-UHFFFAOYSA-N
XLogP1.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-1,3-benzothiazin-2-yl)morpholine?
The IUPAC name of 4-(2H-1,3-benzothiazin-2-yl)morpholine (CID 134999387) is 4-(2H-1,3-benzothiazin-2-yl)morpholine.
What is the SMILES notation for 4-(2H-1,3-benzothiazin-2-yl)morpholine?
The canonical SMILES for 4-(2H-1,3-benzothiazin-2-yl)morpholine is C1=NC(N2CCOCC2)Sc2ccccc21.
What is the InChIKey of 4-(2H-1,3-benzothiazin-2-yl)morpholine?
The InChIKey is PSFGUGQVBSCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-4-11-10(3-1)9-13-12(16-11)14-5-7-15-8-6-14/h1-4,9,12H,5-8H2.
What are the key properties of 4-(2H-1,3-benzothiazin-2-yl)morpholine?
4-(2H-1,3-benzothiazin-2-yl)morpholine has a molecular weight of 234.32 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-1,3-benzothiazin-2-yl)morpholine is sourced from PubChem (CID 134999387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).