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

C6H11NO2S — CID 145175118

IUPAC2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide
SMILESCCC1CN=CCS1(=O)=O
InChIInChI=1S/C6H11NO2S/c1-2-6-5-7-3-4-10(6,8)9/h3,6H,2,4-5H2,1H3
InChIKeyGMGFIUARETXTGM-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.26
Rot. Bonds1

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

2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide (PubChem CID 145175118) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide
PubChem CID145175118
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide
SMILESCCC1CN=CCS1(=O)=O
InChIInChI=1S/C6H11NO2S/c1-2-6-5-7-3-4-10(6,8)9/h3,6H,2,4-5H2,1H3
InChIKeyGMGFIUARETXTGM-UHFFFAOYSA-N
XLogP0.26
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
The IUPAC name of 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide (CID 145175118) is 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide is CCC1CN=CCS1(=O)=O.
What is the InChIKey of 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
The InChIKey is GMGFIUARETXTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-6-5-7-3-4-10(6,8)9/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide?
2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide has a molecular weight of 161.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 145175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).