2-ethylthiazine 1,1-dioxide

C6H9NO2S — CID 23398112

IUPAC2-ethylthiazine 1,1-dioxide
SMILESCCN1C=CC=CS1(=O)=O
InChIInChI=1S/C6H9NO2S/c1-2-7-5-3-4-6-10(7,8)9/h3-6H,2H2,1H3
InChIKeyDQSRBEQONMDAKL-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.68
Rot. Bonds1

About 2-ethylthiazine 1,1-dioxide

2-ethylthiazine 1,1-dioxide (PubChem CID 23398112) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-ethylthiazine 1,1-dioxide.

Molecular Properties

Compound Name2-ethylthiazine 1,1-dioxide
PubChem CID23398112
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-ethylthiazine 1,1-dioxide
SMILESCCN1C=CC=CS1(=O)=O
InChIInChI=1S/C6H9NO2S/c1-2-7-5-3-4-6-10(7,8)9/h3-6H,2H2,1H3
InChIKeyDQSRBEQONMDAKL-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiazine 1,1-dioxide?
The IUPAC name of 2-ethylthiazine 1,1-dioxide (CID 23398112) is 2-ethylthiazine 1,1-dioxide.
What is the SMILES notation for 2-ethylthiazine 1,1-dioxide?
The canonical SMILES for 2-ethylthiazine 1,1-dioxide is CCN1C=CC=CS1(=O)=O.
What is the InChIKey of 2-ethylthiazine 1,1-dioxide?
The InChIKey is DQSRBEQONMDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-7-5-3-4-6-10(7,8)9/h3-6H,2H2,1H3.
What are the key properties of 2-ethylthiazine 1,1-dioxide?
2-ethylthiazine 1,1-dioxide has a molecular weight of 159.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiazine 1,1-dioxide is sourced from PubChem (CID 23398112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).