3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

C8H15NO2S — CID 167142423

IUPAC3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESCC1=C(C)S(=O)(=O)CC(C)N1C
InChIInChI=1S/C8H15NO2S/c1-6-5-12(10,11)8(3)7(2)9(6)4/h6H,5H2,1-4H3
InChIKeyKWBZCZCBFOVPKH-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds

About 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (PubChem CID 167142423) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
PubChem CID167142423
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESCC1=C(C)S(=O)(=O)CC(C)N1C
InChIInChI=1S/C8H15NO2S/c1-6-5-12(10,11)8(3)7(2)9(6)4/h6H,5H2,1-4H3
InChIKeyKWBZCZCBFOVPKH-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The IUPAC name of 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (CID 167142423) is 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is CC1=C(C)S(=O)(=O)CC(C)N1C.
What is the InChIKey of 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The InChIKey is KWBZCZCBFOVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-5-12(10,11)8(3)7(2)9(6)4/h6H,5H2,1-4H3.
What are the key properties of 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 167142423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).