4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide

C11H23NO4S — CID 58283200

IUPAC4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCOC(CC)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-3-11(15-4-2)16-8-5-12-6-9-17(13,14)10-7-12/h11H,3-10H2,1-2H3
InChIKeyMBONXCDJPFAOHY-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.51
Rot. Bonds7

About 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283200) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283200
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCOC(CC)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-3-11(15-4-2)16-8-5-12-6-9-17(13,14)10-7-12/h11H,3-10H2,1-2H3
InChIKeyMBONXCDJPFAOHY-UHFFFAOYSA-N
XLogP0.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283200) is 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide is CCOC(CC)OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MBONXCDJPFAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-11(15-4-2)16-8-5-12-6-9-17(13,14)10-7-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 265.37 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).