4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide

C8H15NO3S — CID 131065774

IUPAC4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide
SMILESC=C(CN1CCS(=O)(=O)CC1)OC
InChIInChI=1S/C8H15NO3S/c1-8(12-2)7-9-3-5-13(10,11)6-4-9/h1,3-7H2,2H3
InChIKeyJFYOLFQUBOFMCL-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.12
Rot. Bonds3

About 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide

4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 131065774) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide
PubChem CID131065774
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide
SMILESC=C(CN1CCS(=O)(=O)CC1)OC
InChIInChI=1S/C8H15NO3S/c1-8(12-2)7-9-3-5-13(10,11)6-4-9/h1,3-7H2,2H3
InChIKeyJFYOLFQUBOFMCL-UHFFFAOYSA-N
XLogP-0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide (CID 131065774) is 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide is C=C(CN1CCS(=O)(=O)CC1)OC.
What is the InChIKey of 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is JFYOLFQUBOFMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-8(12-2)7-9-3-5-13(10,11)6-4-9/h1,3-7H2,2H3.
What are the key properties of 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide?
4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 205.28 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyprop-2-enyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 131065774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).