5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

C9H17NO2S — CID 134987423

IUPAC5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESCN1CCS(=O)(=O)C=C1C(C)(C)C
InChIInChI=1S/C9H17NO2S/c1-9(2,3)8-7-13(11,12)6-5-10(8)4/h7H,5-6H2,1-4H3
InChIKeyXPMGKLYBPMSQBI-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.23
Rot. Bonds

About 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (PubChem CID 134987423) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
PubChem CID134987423
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESCN1CCS(=O)(=O)C=C1C(C)(C)C
InChIInChI=1S/C9H17NO2S/c1-9(2,3)8-7-13(11,12)6-5-10(8)4/h7H,5-6H2,1-4H3
InChIKeyXPMGKLYBPMSQBI-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The IUPAC name of 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (CID 134987423) is 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is CN1CCS(=O)(=O)C=C1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The InChIKey is XPMGKLYBPMSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,3)8-7-13(11,12)6-5-10(8)4/h7H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 134987423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).