4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

C12H17NO6S2 — CID 110721462

IUPAC4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C12H17NO6S2/c1-18-10-3-4-11(19-2)12(9-10)21(16,17)13-5-7-20(14,15)8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyRUONSYPSMWAUDL-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.12
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 110721462) has the molecular formula C12H17NO6S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID110721462
Molecular FormulaC12H17NO6S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Name4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C12H17NO6S2/c1-18-10-3-4-11(19-2)12(9-10)21(16,17)13-5-7-20(14,15)8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyRUONSYPSMWAUDL-UHFFFAOYSA-N
XLogP0.12
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
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4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
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(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
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1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
CID 110739698
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3239959
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (CID 110721462) is 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is COc1ccc(OC)c(S(=O)(=O)N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is RUONSYPSMWAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S2/c1-18-10-3-4-11(19-2)12(9-10)21(16,17)13-5-7-20(14,15)8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 335.40 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 110721462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).