4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide

C13H19NO4S — CID 2767989

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(CN2CCS(=O)(=O)CC2)cc1OC
InChIInChI=1S/C13H19NO4S/c1-17-12-4-3-11(9-13(12)18-2)10-14-5-7-19(15,16)8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeySOAYGVGBEYRRFQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.93
Rot. Bonds4

About 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2767989) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2767989
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(CN2CCS(=O)(=O)CC2)cc1OC
InChIInChI=1S/C13H19NO4S/c1-17-12-4-3-11(9-13(12)18-2)10-14-5-7-19(15,16)8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeySOAYGVGBEYRRFQ-UHFFFAOYSA-N
XLogP0.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 2767989) is 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide is COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is SOAYGVGBEYRRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-17-12-4-3-11(9-13(12)18-2)10-14-5-7-19(15,16)8-6-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 285.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2767989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).