2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide

C9H16O3S — CID 176603340

IUPAC2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
SMILESCC(C)=COCC1CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-8(2)6-12-7-9-4-3-5-13(9,10)11/h6,9H,3-5,7H2,1-2H3
InChIKeyVPICONNSVNHWSO-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide

2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide (PubChem CID 176603340) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
PubChem CID176603340
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
SMILESCC(C)=COCC1CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-8(2)6-12-7-9-4-3-5-13(9,10)11/h6,9H,3-5,7H2,1-2H3
InChIKeyVPICONNSVNHWSO-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.50
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

(1,1-dioxothiolan-2-yl)methyl methanesulfonate
CID 146441865
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
2-(3-bromo-2-methylpropyl)thiolane 1,1-dioxide
CID 165442715
2-amino-3-(1,1-dioxothiolan-2-yl)propanamide
CID 165485039
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
ethyl 2-[(1,1-dioxothiolan-2-yl)methylamino]butanoate
CID 81039682
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-enamide
CID 81039292
4-(1,1-dioxothiolan-2-yl)-3,3-difluorobutan-2-ol
CID 105485479
2-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1,3-diethylguanidine
CID 99629255
2-(1H-pyrazol-4-yloxymethyl)thiolane 1,1-dioxide
CID 117233453

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide (CID 176603340) is 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide is CC(C)=COCC1CCCS1(=O)=O.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
The InChIKey is VPICONNSVNHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-8(2)6-12-7-9-4-3-5-13(9,10)11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).