5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline

C12H18N2O5S2 — CID 102882388

IUPAC5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2C)c(N)c1
InChIInChI=1S/C12H18N2O5S2/c1-9-8-20(15,16)6-5-14(9)21(17,18)12-4-3-10(19-2)7-11(12)13/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyPODJSQAJRMLZLZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.09
Rot. Bonds3

About 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline

5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline (PubChem CID 102882388) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
PubChem CID102882388
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2C)c(N)c1
InChIInChI=1S/C12H18N2O5S2/c1-9-8-20(15,16)6-5-14(9)21(17,18)12-4-3-10(19-2)7-11(12)13/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyPODJSQAJRMLZLZ-UHFFFAOYSA-N
XLogP0.09
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882311
5-bromo-2-methyl-3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882366
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263
1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
CID 110707842
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
CID 102882361
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The IUPAC name of 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline (CID 102882388) is 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline.
What is the SMILES notation for 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The canonical SMILES for 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline is COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2C)c(N)c1.
What is the InChIKey of 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The InChIKey is PODJSQAJRMLZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-9-8-20(15,16)6-5-14(9)21(17,18)12-4-3-10(19-2)7-11(12)13/h3-4,7,9H,5-6,8,13H2,1-2H3.
What are the key properties of 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline has a molecular weight of 334.42 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline is sourced from PubChem (CID 102882388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).