2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide

C6H11NO2S — CID 140804198

IUPAC2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide
SMILESCC1C=NCC(C)S1(=O)=O
InChIInChI=1S/C6H11NO2S/c1-5-3-7-4-6(2)10(5,8)9/h3,5-6H,4H2,1-2H3
InChIKeyQMDVAKIONUSCID-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.26
Rot. Bonds

About 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide

2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide (PubChem CID 140804198) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide
PubChem CID140804198
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide
SMILESCC1C=NCC(C)S1(=O)=O
InChIInChI=1S/C6H11NO2S/c1-5-3-7-4-6(2)10(5,8)9/h3,5-6H,4H2,1-2H3
InChIKeyQMDVAKIONUSCID-UHFFFAOYSA-N
XLogP0.26
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
The IUPAC name of 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide (CID 140804198) is 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide is CC1C=NCC(C)S1(=O)=O.
What is the InChIKey of 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
The InChIKey is QMDVAKIONUSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5-3-7-4-6(2)10(5,8)9/h3,5-6H,4H2,1-2H3.
What are the key properties of 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide has a molecular weight of 161.23 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 140804198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).