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

C8H13NO2S — CID 143355548

IUPAC5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide
SMILESC/C=C\C1=C(CC)S(=O)(=O)NC1
InChIInChI=1S/C8H13NO2S/c1-3-5-7-6-9-12(10,11)8(7)4-2/h3,5,9H,4,6H2,1-2H3/b5-3-
InChIKeyDOZUJBLCOMMVBY-HYXAFXHYSA-N
MW187.26 g/mol
LogP1.16
Rot. Bonds2

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

5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide (PubChem CID 143355548) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide
PubChem CID143355548
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide
SMILESC/C=C\C1=C(CC)S(=O)(=O)NC1
InChIInChI=1S/C8H13NO2S/c1-3-5-7-6-9-12(10,11)8(7)4-2/h3,5,9H,4,6H2,1-2H3/b5-3-
InChIKeyDOZUJBLCOMMVBY-HYXAFXHYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide (CID 143355548) is 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide is C/C=C\C1=C(CC)S(=O)(=O)NC1.
What is the InChIKey of 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide?
The InChIKey is DOZUJBLCOMMVBY-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-3-5-7-6-9-12(10,11)8(7)4-2/h3,5,9H,4,6H2,1-2H3/b5-3-.
What are the key properties of 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide?
5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide has a molecular weight of 187.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 143355548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).