2-prop-2-enylthiane 1,1-dioxide

C8H14O2S — CID 70020505

IUPAC2-prop-2-enylthiane 1,1-dioxide
SMILESC=CCC1CCCCS1(=O)=O
InChIInChI=1S/C8H14O2S/c1-2-5-8-6-3-4-7-11(8,9)10/h2,8H,1,3-7H2
InChIKeyMQGKQQPYVGSCHV-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.53
Rot. Bonds2

About 2-prop-2-enylthiane 1,1-dioxide

2-prop-2-enylthiane 1,1-dioxide (PubChem CID 70020505) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-prop-2-enylthiane 1,1-dioxide.

Molecular Properties

Compound Name2-prop-2-enylthiane 1,1-dioxide
PubChem CID70020505
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-prop-2-enylthiane 1,1-dioxide
SMILESC=CCC1CCCCS1(=O)=O
InChIInChI=1S/C8H14O2S/c1-2-5-8-6-3-4-7-11(8,9)10/h2,8H,1,3-7H2
InChIKeyMQGKQQPYVGSCHV-UHFFFAOYSA-N
XLogP1.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Diethenyl-1lambda~6~-thiolane-1,1-dione
CID 12634220
5-Pent-4-enylsulfonylpent-1-ene
CID 11506665
cis-2,5-Divinylsulfolane
CID 23272235
trans-2,5-Divinylsulfolane
CID 129790691
3-(Methylsulfonyl)-1,6-heptadiene
CID 45034582
2-Methylidenethiane 1,1-dioxide
CID 10057630
6-Hex-5-enylsulfonylhex-1-ene
CID 11499601
4-Methanesulfonyl-1,6-heptadiene
CID 22481840
9-Methanesulfonyl-1-nonene
CID 23287936
7-Methanesulfonyl-1-heptene
CID 23295870
12-Methanesulfonyl-1-dodecene
CID 23295897
7-Hexylsulfonylhept-1-ene
CID 23466476

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylthiane 1,1-dioxide?
The IUPAC name of 2-prop-2-enylthiane 1,1-dioxide (CID 70020505) is 2-prop-2-enylthiane 1,1-dioxide.
What is the SMILES notation for 2-prop-2-enylthiane 1,1-dioxide?
The canonical SMILES for 2-prop-2-enylthiane 1,1-dioxide is C=CCC1CCCCS1(=O)=O.
What is the InChIKey of 2-prop-2-enylthiane 1,1-dioxide?
The InChIKey is MQGKQQPYVGSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-5-8-6-3-4-7-11(8,9)10/h2,8H,1,3-7H2.
What are the key properties of 2-prop-2-enylthiane 1,1-dioxide?
2-prop-2-enylthiane 1,1-dioxide has a molecular weight of 174.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylthiane 1,1-dioxide is sourced from PubChem (CID 70020505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).