3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine

C12H16N2OS — CID 116999180

IUPAC3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine
SMILESc1cc2c(cc1C1COCCN1)NCCS2
InChIInChI=1S/C12H16N2OS/c1-2-12-10(14-4-6-16-12)7-9(1)11-8-15-5-3-13-11/h1-2,7,11,13-14H,3-6,8H2
InChIKeyYIOBTZTZLLBKLF-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.87
Rot. Bonds1

About 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine

3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine (PubChem CID 116999180) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine
PubChem CID116999180
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine
SMILESc1cc2c(cc1C1COCCN1)NCCS2
InChIInChI=1S/C12H16N2OS/c1-2-12-10(14-4-6-16-12)7-9(1)11-8-15-5-3-13-11/h1-2,7,11,13-14H,3-6,8H2
InChIKeyYIOBTZTZLLBKLF-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

3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
CID 116999266
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
3-(6-bromonaphthalen-2-yl)morpholine
CID 175413265
2-chloro-4-morpholin-3-ylphenol
CID 82613251
3-(6-methylnaphthalen-2-yl)morpholine
CID 116963155
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561
3-(2-methyl-4-pyridinyl)morpholine
CID 55282770

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine?
The IUPAC name of 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine (CID 116999180) is 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine.
What is the SMILES notation for 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine?
The canonical SMILES for 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine is c1cc2c(cc1C1COCCN1)NCCS2.
What is the InChIKey of 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine?
The InChIKey is YIOBTZTZLLBKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-12-10(14-4-6-16-12)7-9(1)11-8-15-5-3-13-11/h1-2,7,11,13-14H,3-6,8H2.
What are the key properties of 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine?
3-(3,4-dihydro-2H-1,4-benzothiazin-6-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 3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine is sourced from PubChem (CID 116999180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).