2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate

C10H19NO5S — CID 58283129

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate
SMILESCCC(=O)OCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO5S/c1-2-10(12)16-9-15-6-3-11-4-7-17(13,14)8-5-11/h2-9H2,1H3
InChIKeyQGRUKBMAXVBLKF-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.36
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate (PubChem CID 58283129) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate
PubChem CID58283129
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate
SMILESCCC(=O)OCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO5S/c1-2-10(12)16-9-15-6-3-11-4-7-17(13,14)8-5-11/h2-9H2,1H3
InChIKeyQGRUKBMAXVBLKF-UHFFFAOYSA-N
XLogP-0.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate (CID 58283129) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate is CCC(=O)OCOCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate?
The InChIKey is QGRUKBMAXVBLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-10(12)16-9-15-6-3-11-4-7-17(13,14)8-5-11/h2-9H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate has a molecular weight of 265.33 g/mol, XLogP of -0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate is sourced from PubChem (CID 58283129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).