2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide

C12H15NO2S — CID 51359566

IUPAC2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide
SMILESCc1ccc(CN2CCC=CS2(=O)=O)cc1
InChIInChI=1S/C12H15NO2S/c1-11-4-6-12(7-5-11)10-13-8-2-3-9-16(13,14)15/h3-7,9H,2,8,10H2,1H3
InChIKeyFUUVOXCJXGJGDX-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.04
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide

2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide (PubChem CID 51359566) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide
PubChem CID51359566
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide
SMILESCc1ccc(CN2CCC=CS2(=O)=O)cc1
InChIInChI=1S/C12H15NO2S/c1-11-4-6-12(7-5-11)10-13-8-2-3-9-16(13,14)15/h3-7,9H,2,8,10H2,1H3
InChIKeyFUUVOXCJXGJGDX-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide (CID 51359566) is 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide is Cc1ccc(CN2CCC=CS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide?
The InChIKey is FUUVOXCJXGJGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-11-4-6-12(7-5-11)10-13-8-2-3-9-16(13,14)15/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide?
2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide has a molecular weight of 237.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3,4-dihydrothiazine 1,1-dioxide is sourced from PubChem (CID 51359566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).