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

C6H10O3S — CID 176604492

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
SMILESC/C=C/OCC1CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-2-3-9-4-6-5-10(6,7)8/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyFLVAMIORALDTRE-NSCUHMNNSA-N
MW162.21 g/mol
LogP0.33
Rot. Bonds3

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

2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide (PubChem CID 176604492) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
PubChem CID176604492
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
SMILESC/C=C/OCC1CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-2-3-9-4-6-5-10(6,7)8/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyFLVAMIORALDTRE-NSCUHMNNSA-N
XLogP0.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Ethylsulfonylmethylidene)oxirane
CID 57016156
1-Methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene
CID 87606113
3-Methylsulfonyl-2,3-dihydrofuran
CID 89176030
1-(2-Ethoxyethylsulfonyl)prop-1-ene
CID 126550218
5-Methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide
CID 132062263
Sodium 3-prop-1-enoxypropane-1-sulfonate
CID 141084523
Sodium 2-prop-1-enoxyethanesulfonate
CID 162306009
3-(2-Ethoxyethylsulfonyl)prop-1-ene
CID 173493471
2-ethylsulfonyl-4H-pyran
CID 174480398
2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
CID 176602966
2-[3-[(E)-prop-1-enoxy]propyl]thiirane 1,1-dioxide
CID 176602968
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1,1-dioxide
CID 176603312

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide (CID 176604492) is 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide is C/C=C/OCC1CS1(=O)=O.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide?
The InChIKey is FLVAMIORALDTRE-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-3-9-4-6-5-10(6,7)8/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide?
2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide has a molecular weight of 162.21 g/mol, XLogP of 0.33, 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]thiirane 1,1-dioxide is sourced from PubChem (CID 176604492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).