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

C11H23NO4S — CID 55249950

IUPAC4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide
SMILESCCOC(CCN1CCS(=O)(=O)CC1)OCC
InChIInChI=1S/C11H23NO4S/c1-3-15-11(16-4-2)5-6-12-7-9-17(13,14)10-8-12/h11H,3-10H2,1-2H3
InChIKeyWHDXSYQASBWBEW-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.51
Rot. Bonds7

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

4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 55249950) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide
PubChem CID55249950
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide
SMILESCCOC(CCN1CCS(=O)(=O)CC1)OCC
InChIInChI=1S/C11H23NO4S/c1-3-15-11(16-4-2)5-6-12-7-9-17(13,14)10-8-12/h11H,3-10H2,1-2H3
InChIKeyWHDXSYQASBWBEW-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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Related Compounds

N-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbutan-1-amine
CID 177930535
4-[2-(1-Ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283200
4-[2-(Methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283230
4-[2-(2-Methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283268
4-[2-(1-Ethoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283312
4-[2-(1-Ethoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283340
4-[2-[1-[(2-Methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283342
4-[2-(1-Methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283382
4-[2-(1-Methoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283413
4-[2-[1-[(2-Methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283492
4-(3-Ethoxypropyl)-1,4-thiazinane 1,1-dioxide
CID 138463207
4-[3-(Methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide
CID 167053059

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide (CID 55249950) is 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide is CCOC(CCN1CCS(=O)(=O)CC1)OCC.
What is the InChIKey of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WHDXSYQASBWBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-15-11(16-4-2)5-6-12-7-9-17(13,14)10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide?
4-(3,3-diethoxypropyl)-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-(3,3-diethoxypropyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 55249950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).