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

C14H20N2OS — CID 116999266

IUPAC3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
SMILESc1cc2c(cc1CCC1COCCN1)NCCS2
InChIInChI=1S/C14H20N2OS/c1(3-12-10-17-7-5-15-12)11-2-4-14-13(9-11)16-6-8-18-14/h2,4,9,12,15-16H,1,3,5-8,10H2
InChIKeyOPCKYOBUIKQSNI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.13
Rot. Bonds3

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

3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine (PubChem CID 116999266) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
PubChem CID116999266
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
SMILESc1cc2c(cc1CCC1COCCN1)NCCS2
InChIInChI=1S/C14H20N2OS/c1(3-12-10-17-7-5-15-12)11-2-4-14-13(9-11)16-6-8-18-14/h2,4,9,12,15-16H,1,3,5-8,10H2
InChIKeyOPCKYOBUIKQSNI-UHFFFAOYSA-N
XLogP2.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)morpholine
CID 116999180
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
3-(2-phenylethyl)morpholine
CID 54013840
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propane-1-thiol
CID 116999259
6-(2-morpholin-3-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116928225
3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
CID 116927974
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine?
The IUPAC name of 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine (CID 116999266) is 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine is c1cc2c(cc1CCC1COCCN1)NCCS2.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine?
The InChIKey is OPCKYOBUIKQSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1(3-12-10-17-7-5-15-12)11-2-4-14-13(9-11)16-6-8-18-14/h2,4,9,12,15-16H,1,3,5-8,10H2.
What are the key properties of 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine?
3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine has a molecular weight of 264.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine is sourced from PubChem (CID 116999266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).