4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide

C11H23NO3S — CID 63627907

IUPAC4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide
SMILESCCOC(CCN1CCS(=O)CC1)OCC
InChIInChI=1S/C11H23NO3S/c1-3-14-11(15-4-2)5-6-12-7-9-16(13)10-8-12/h11H,3-10H2,1-2H3
InChIKeyYYBWCKZBHYTCNG-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.84
Rot. Bonds7

About 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide

4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide (PubChem CID 63627907) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide
PubChem CID63627907
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide
SMILESCCOC(CCN1CCS(=O)CC1)OCC
InChIInChI=1S/C11H23NO3S/c1-3-14-11(15-4-2)5-6-12-7-9-16(13)10-8-12/h11H,3-10H2,1-2H3
InChIKeyYYBWCKZBHYTCNG-UHFFFAOYSA-N
XLogP0.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide (CID 63627907) is 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide is CCOC(CCN1CCS(=O)CC1)OCC.
What is the InChIKey of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide?
The InChIKey is YYBWCKZBHYTCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-14-11(15-4-2)5-6-12-7-9-16(13)10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide?
4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide has a molecular weight of 249.38 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxypropyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 63627907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).