4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide

C7H11NO2S — CID 2777265

IUPAC4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
SMILESC#CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2
InChIKeyCZBZIZOYSYHBNM-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.65
Rot. Bonds1

About 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide

4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide (PubChem CID 2777265) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
PubChem CID2777265
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
SMILESC#CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2
InChIKeyCZBZIZOYSYHBNM-UHFFFAOYSA-N
XLogP-0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide (CID 2777265) is 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide is C#CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is CZBZIZOYSYHBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2.
What are the key properties of 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide?
4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 173.24 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2777265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).