5-ethynyl-2-methylthiazinane 1,1-dioxide

C7H11NO2S — CID 89442289

IUPAC5-ethynyl-2-methylthiazinane 1,1-dioxide
SMILESC#CC1CCN(C)S(=O)(=O)C1
InChIInChI=1S/C7H11NO2S/c1-3-7-4-5-8(2)11(9,10)6-7/h1,7H,4-6H2,2H3
InChIKeyQKVPOLSPGAYHEC-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.10
Rot. Bonds

About 5-ethynyl-2-methylthiazinane 1,1-dioxide

5-ethynyl-2-methylthiazinane 1,1-dioxide (PubChem CID 89442289) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-ethynyl-2-methylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name5-ethynyl-2-methylthiazinane 1,1-dioxide
PubChem CID89442289
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name5-ethynyl-2-methylthiazinane 1,1-dioxide
SMILESC#CC1CCN(C)S(=O)(=O)C1
InChIInChI=1S/C7H11NO2S/c1-3-7-4-5-8(2)11(9,10)6-7/h1,7H,4-6H2,2H3
InChIKeyQKVPOLSPGAYHEC-UHFFFAOYSA-N
XLogP-0.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methylthiazinane 1,1-dioxide?
The IUPAC name of 5-ethynyl-2-methylthiazinane 1,1-dioxide (CID 89442289) is 5-ethynyl-2-methylthiazinane 1,1-dioxide.
What is the SMILES notation for 5-ethynyl-2-methylthiazinane 1,1-dioxide?
The canonical SMILES for 5-ethynyl-2-methylthiazinane 1,1-dioxide is C#CC1CCN(C)S(=O)(=O)C1.
What is the InChIKey of 5-ethynyl-2-methylthiazinane 1,1-dioxide?
The InChIKey is QKVPOLSPGAYHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-7-4-5-8(2)11(9,10)6-7/h1,7H,4-6H2,2H3.
What are the key properties of 5-ethynyl-2-methylthiazinane 1,1-dioxide?
5-ethynyl-2-methylthiazinane 1,1-dioxide has a molecular weight of 173.24 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methylthiazinane 1,1-dioxide is sourced from PubChem (CID 89442289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).