2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide

C8H14O3S — CID 176603350

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
SMILESC/C=C/OCC1CCCS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-2-5-11-7-8-4-3-6-12(8,9)10/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyNDLCUQCTNAVGMY-GORDUTHDSA-N
MW190.26 g/mol
LogP1.11
Rot. Bonds3

About 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide

2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide (PubChem CID 176603350) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
PubChem CID176603350
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
SMILESC/C=C/OCC1CCCS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-2-5-11-7-8-4-3-6-12(8,9)10/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyNDLCUQCTNAVGMY-GORDUTHDSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Prop-1-enoxythiolane 1,1-dioxide
CID 57782399
3-[(Z)-prop-1-enoxy]thiolane 1,1-dioxide
CID 67733785
3-[(E)-prop-1-enoxy]thiolane 1,1-dioxide
CID 67733786
2-Prop-1-enoxythiolane 1,1-dioxide
CID 68960631
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
2-[3-[(E)-prop-1-enoxy]propyl]thiirane 1,1-dioxide
CID 176602968
2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603109
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603489
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603798

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide (CID 176603350) is 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide is C/C=C/OCC1CCCS1(=O)=O.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The InChIKey is NDLCUQCTNAVGMY-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-5-11-7-8-4-3-6-12(8,9)10/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176603350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).