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

C18H15NS — CID 135015369

IUPAC(3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1ccc2c(c1)N[C@H](c1ccc3ccccc3c1)CS2
InChIInChI=1S/C18H15NS/c1-2-6-14-11-15(10-9-13(14)5-1)17-12-20-18-8-4-3-7-16(18)19-17/h1-11,17,19H,12H2/t17-/m0/s1
InChIKeyJDNRDLBQBZQBQD-KRWDZBQOSA-N
MW277.39 g/mol
LogP5.10
Rot. Bonds1

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

(3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 135015369) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name(3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID135015369
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name(3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1ccc2c(c1)N[C@H](c1ccc3ccccc3c1)CS2
InChIInChI=1S/C18H15NS/c1-2-6-14-11-15(10-9-13(14)5-1)17-12-20-18-8-4-3-7-16(18)19-17/h1-11,17,19H,12H2/t17-/m0/s1
InChIKeyJDNRDLBQBZQBQD-KRWDZBQOSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 132552157
(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 102250958
3-naphthalen-2-yl-1,2-oxazolidine
CID 164533749
3-naphthalen-2-yl-1,4-thiazepane
CID 66217047
2-methyl-5-naphthalen-2-ylthiomorpholine
CID 66244540
(3S,4R)-4-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-ol
CID 15504087
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
(2S,3S)-2,3-dinaphthalen-2-ylpiperazine
CID 11175156
3-naphthalen-2-ylazetidine
CID 116962282
(5R,7R,12S,14S)-5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
CID 98534445
(5S,7R,12S,14S)-5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
CID 98534446

Frequently Asked Questions

What is the IUPAC name of (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine (CID 135015369) is (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine is c1ccc2c(c1)N[C@H](c1ccc3ccccc3c1)CS2.
What is the InChIKey of (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is JDNRDLBQBZQBQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15NS/c1-2-6-14-11-15(10-9-13(14)5-1)17-12-20-18-8-4-3-7-16(18)19-17/h1-11,17,19H,12H2/t17-/m0/s1.
What are the key properties of (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
(3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 277.39 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-naphthalen-2-yl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 135015369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).