2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide

C6H9NO2S — CID 61343040

IUPAC2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide
SMILESC#CCN1CCCS1(=O)=O
InChIInChI=1S/C6H9NO2S/c1-2-4-7-5-3-6-10(7,8)9/h1H,3-6H2
InChIKeyOQLSHDRLULKJLS-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.34
Rot. Bonds1

About 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide

2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 61343040) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide
PubChem CID61343040
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide
SMILESC#CCN1CCCS1(=O)=O
InChIInChI=1S/C6H9NO2S/c1-2-4-7-5-3-6-10(7,8)9/h1H,3-6H2
InChIKeyOQLSHDRLULKJLS-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
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-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide (CID 61343040) is 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide is C#CCN1CCCS1(=O)=O.
What is the InChIKey of 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is OQLSHDRLULKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-4-7-5-3-6-10(7,8)9/h1H,3-6H2.
What are the key properties of 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide?
2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 159.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 61343040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).