2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide

C9H15NO2S — CID 116816826

IUPAC2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
SMILESC#CC(C)(C)N1CCCCS1(=O)=O
InChIInChI=1S/C9H15NO2S/c1-4-9(2,3)10-7-5-6-8-13(10,11)12/h1H,5-8H2,2-3H3
InChIKeyQFTHNMYKAILJRV-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.82
Rot. Bonds1

About 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide

2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide (PubChem CID 116816826) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
PubChem CID116816826
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
SMILESC#CC(C)(C)N1CCCCS1(=O)=O
InChIInChI=1S/C9H15NO2S/c1-4-9(2,3)10-7-5-6-8-13(10,11)12/h1H,5-8H2,2-3H3
InChIKeyQFTHNMYKAILJRV-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.82
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 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide (CID 116816826) is 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide is C#CC(C)(C)N1CCCCS1(=O)=O.
What is the InChIKey of 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide?
The InChIKey is QFTHNMYKAILJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-9(2,3)10-7-5-6-8-13(10,11)12/h1H,5-8H2,2-3H3.
What are the key properties of 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide?
2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide has a molecular weight of 201.29 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 116816826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).