5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide

C17H19NO2S — CID 66219910

IUPAC5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)C(c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C17H19NO2S/c1-13-12-21(19,20)17(15-10-6-3-7-11-15)16(18-13)14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3
InChIKeyGRJMBWDGVCNHOR-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.88
Rot. Bonds2

About 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide

5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66219910) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
PubChem CID66219910
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)C(c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C17H19NO2S/c1-13-12-21(19,20)17(15-10-6-3-7-11-15)16(18-13)14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3
InChIKeyGRJMBWDGVCNHOR-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide (CID 66219910) is 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)C(c2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GRJMBWDGVCNHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-12-21(19,20)17(15-10-6-3-7-11-15)16(18-13)14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3.
What are the key properties of 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide?
5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 301.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66219910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).