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

C12H18N2O5S2 — CID 102882311

IUPAC2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESCOc1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C)ccc1N
InChIInChI=1S/C12H18N2O5S2/c1-9-8-20(15,16)6-5-14(9)21(17,18)10-3-4-11(13)12(7-10)19-2/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyFPIVCRIPDCNUDO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.09
Rot. Bonds3

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

2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline (PubChem CID 102882311) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
PubChem CID102882311
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESCOc1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C)ccc1N
InChIInChI=1S/C12H18N2O5S2/c1-9-8-20(15,16)6-5-14(9)21(17,18)10-3-4-11(13)12(7-10)19-2/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyFPIVCRIPDCNUDO-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882388
1-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]ethanamine
CID 102884344
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzenecarbothioamide
CID 102883472
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
CID 81442189
1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106667237
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773806
5-bromo-2-methyl-3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882366
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 102882974
2-methoxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 81438557
2-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 81438019
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The IUPAC name of 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline (CID 102882311) is 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline.
What is the SMILES notation for 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The canonical SMILES for 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline is COc1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C)ccc1N.
What is the InChIKey of 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The InChIKey is FPIVCRIPDCNUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-9-8-20(15,16)6-5-14(9)21(17,18)10-3-4-11(13)12(7-10)19-2/h3-4,7,9H,5-6,8,13H2,1-2H3.
What are the key properties of 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
2-methoxy-4-[(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 2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline is sourced from PubChem (CID 102882311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).