2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine

C12H16N2OS — CID 116998976

IUPAC2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine
SMILESc1cc2c(cc1C1CNCCO1)SCCN2
InChIInChI=1S/C12H16N2OS/c1-2-10-12(16-6-4-14-10)7-9(1)11-8-13-3-5-15-11/h1-2,7,11,13-14H,3-6,8H2
InChIKeyBZBXGQLFNKZFII-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.87
Rot. Bonds1

About 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine

2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine (PubChem CID 116998976) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine
PubChem CID116998976
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine
SMILESc1cc2c(cc1C1CNCCO1)SCCN2
InChIInChI=1S/C12H16N2OS/c1-2-10-12(16-6-4-14-10)7-9(1)11-8-13-3-5-15-11/h1-2,7,11,13-14H,3-6,8H2
InChIKeyBZBXGQLFNKZFII-UHFFFAOYSA-N
XLogP1.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
6-morpholin-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82289623
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
azane;2-phenylmorpholine
CID 174664757

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine?
The IUPAC name of 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine (CID 116998976) is 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine is c1cc2c(cc1C1CNCCO1)SCCN2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine?
The InChIKey is BZBXGQLFNKZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-10-12(16-6-4-14-10)7-9(1)11-8-13-3-5-15-11/h1-2,7,11,13-14H,3-6,8H2.
What are the key properties of 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine?
2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine has a molecular weight of 236.34 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)morpholine is sourced from PubChem (CID 116998976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).