3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide

C6H9NO2S — CID 156697904

IUPAC3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
SMILESC/C=C/C1=NS(=O)(=O)CC1
InChIInChI=1S/C6H9NO2S/c1-2-3-6-4-5-10(8,9)7-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyMZEIJEGWQBUQJC-NSCUHMNNSA-N
MW159.21 g/mol
LogP0.74
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide

3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide (PubChem CID 156697904) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
PubChem CID156697904
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
SMILESC/C=C/C1=NS(=O)(=O)CC1
InChIInChI=1S/C6H9NO2S/c1-2-3-6-4-5-10(8,9)7-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyMZEIJEGWQBUQJC-NSCUHMNNSA-N
XLogP0.74
TPSA46.50 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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
The IUPAC name of 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide (CID 156697904) is 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide is C/C=C/C1=NS(=O)(=O)CC1.
What is the InChIKey of 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
The InChIKey is MZEIJEGWQBUQJC-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-3-6-4-5-10(8,9)7-6/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide has a molecular weight of 159.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 156697904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).