3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine

C19H22N2O2S2 — CID 146162114

IUPAC3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3S/C(=N\C(C)C)C2C)cc1
InChIInChI=1S/C19H22N2O2S2/c1-13(2)20-19-15(4)21(17-7-5-6-8-18(17)24-19)25(22,23)16-11-9-14(3)10-12-16/h5-13,15H,1-4H3/b20-19-
InChIKeyQTDZFOLIOPENCA-VXPUYCOJSA-N
MW374.53 g/mol
LogP4.49
Rot. Bonds3

About 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine

3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine (PubChem CID 146162114) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine
PubChem CID146162114
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC Name3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3S/C(=N\C(C)C)C2C)cc1
InChIInChI=1S/C19H22N2O2S2/c1-13(2)20-19-15(4)21(17-7-5-6-8-18(17)24-19)25(22,23)16-11-9-14(3)10-12-16/h5-13,15H,1-4H3/b20-19-
InChIKeyQTDZFOLIOPENCA-VXPUYCOJSA-N
XLogP4.49
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine 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

2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
CID 10685557
(3aR,9aR)-9-(4-methylphenyl)sulfonyl-2,3,3a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzothiazine
CID 44598734
(5aR,10aR)-11-(4-methylphenyl)sulfonyl-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine
CID 44597020
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 96538065
(2E,4R)-3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethylidene]-4-propan-2-yl-4H-1,3-benzothiazine
CID 139038325
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine?
The IUPAC name of 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine (CID 146162114) is 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine is Cc1ccc(S(=O)(=O)N2c3ccccc3S/C(=N\C(C)C)C2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine?
The InChIKey is QTDZFOLIOPENCA-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-13(2)20-19-15(4)21(17-7-5-6-8-18(17)24-19)25(22,23)16-11-9-14(3)10-12-16/h5-13,15H,1-4H3/b20-19-.
What are the key properties of 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine?
3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine has a molecular weight of 374.53 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine is sourced from PubChem (CID 146162114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).