(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine

C15H15NOS — CID 132552157

IUPAC(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCOc1ccc([C@@H]2CSc3ccccc3N2)cc1
InChIInChI=1S/C15H15NOS/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9,14,16H,10H2,1H3/t14-/m0/s1
InChIKeyXEGSZLZVDACKJN-AWEZNQCLSA-N
MW257.36 g/mol
LogP3.95
Rot. Bonds2

About (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine

(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 132552157) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID132552157
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCOc1ccc([C@@H]2CSc3ccccc3N2)cc1
InChIInChI=1S/C15H15NOS/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9,14,16H,10H2,1H3/t14-/m0/s1
InChIKeyXEGSZLZVDACKJN-AWEZNQCLSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 135015369
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-3,4-diol
CID 78076222
5-(4-methoxyphenyl)thiomorpholin-3-one
CID 105480891
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl) 2-(4-methoxyphenyl)acetate
CID 169445188
(3S,4R)-4-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-ol
CID 15504087
7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole
CID 40527211
3-(4-methoxyphenyl)-5-methylthiomorpholine
CID 66217923

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 132552157) is (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine is COc1ccc([C@@H]2CSc3ccccc3N2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is XEGSZLZVDACKJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NOS/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9,14,16H,10H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 257.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 132552157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).