6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione

C11H11N3O4S — CID 110191744

IUPAC6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)19(17,18)14-9(12)6-10(15)13-11(14)16/h2-5,12H,6H2,1H3,(H,13,15,16)/b12-9+
InChIKeyHJZJWMQGNGTLBX-FMIVXFBMSA-N
MW281.29 g/mol
LogP0.60
Rot. Bonds2

About 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione

6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione (PubChem CID 110191744) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione
PubChem CID110191744
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)19(17,18)14-9(12)6-10(15)13-11(14)16/h2-5,12H,6H2,1H3,(H,13,15,16)/b12-9+
InChIKeyHJZJWMQGNGTLBX-FMIVXFBMSA-N
XLogP0.60
TPSA107.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione 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

1-(4-methylphenyl)sulfonylazetidine-2,4-dione
CID 82664020
5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697522
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
CID 132524969
4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697524
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
(1R,5S)-7-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane-2,4-dione
CID 92539490
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
3-methylidene-1-(4-methylphenyl)sulfonylpyrrol-2-imine
CID 144646817
2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
CID 82251742
1-(4-methylphenyl)sulfonyl-2H-pyrazine
CID 69191833

Frequently Asked Questions

What is the IUPAC name of 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione (CID 110191744) is 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione is [H]/N=C1\CC(=O)NC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione?
The InChIKey is HJZJWMQGNGTLBX-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)19(17,18)14-9(12)6-10(15)13-11(14)16/h2-5,12H,6H2,1H3,(H,13,15,16)/b12-9+.
What are the key properties of 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione?
6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione has a molecular weight of 281.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-(4-methylphenyl)sulfonyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 110191744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).