2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine

C16H17NS — CID 13293497

IUPAC2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine
SMILESCC1(Cc2ccccc2)CNc2ccccc2S1
InChIInChI=1S/C16H17NS/c1-16(11-13-7-3-2-4-8-13)12-17-14-9-5-6-10-15(14)18-16/h2-10,17H,11-12H2,1H3
InChIKeyCRWPRUGTZDQJSU-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.21
Rot. Bonds2

About 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine

2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine (PubChem CID 13293497) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine
PubChem CID13293497
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine
SMILESCC1(Cc2ccccc2)CNc2ccccc2S1
InChIInChI=1S/C16H17NS/c1-16(11-13-7-3-2-4-8-13)12-17-14-9-5-6-10-15(14)18-16/h2-10,17H,11-12H2,1H3
InChIKeyCRWPRUGTZDQJSU-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine?
The IUPAC name of 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine (CID 13293497) is 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine.
What is the SMILES notation for 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine?
The canonical SMILES for 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine is CC1(Cc2ccccc2)CNc2ccccc2S1.
What is the InChIKey of 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine?
The InChIKey is CRWPRUGTZDQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-16(11-13-7-3-2-4-8-13)12-17-14-9-5-6-10-15(14)18-16/h2-10,17H,11-12H2,1H3.
What are the key properties of 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine?
2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine has a molecular weight of 255.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine is sourced from PubChem (CID 13293497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).