(4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

C19H15NO2S — CID 937360

IUPAC(4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESCc1ccc([C@@H]2SC(=O)NC3=C2C(=O)c2ccccc23)cc1C
InChIInChI=1S/C19H15NO2S/c1-10-7-8-12(9-11(10)2)18-15-16(20-19(22)23-18)13-5-3-4-6-14(13)17(15)21/h3-9,18H,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyNAQDFTWFOQGAGA-SFHVURJKSA-N
MW321.40 g/mol
LogP4.41
Rot. Bonds1

About (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

(4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (PubChem CID 937360) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
PubChem CID937360
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name(4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESCc1ccc([C@@H]2SC(=O)NC3=C2C(=O)c2ccccc23)cc1C
InChIInChI=1S/C19H15NO2S/c1-10-7-8-12(9-11(10)2)18-15-16(20-19(22)23-18)13-5-3-4-6-14(13)17(15)21/h3-9,18H,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyNAQDFTWFOQGAGA-SFHVURJKSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 3148621
(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 899538
(11R)-11-(4-tert-butylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2202000
(11S)-11-(4-tert-butylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2201999
11-(3,4,5-trimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2950766
[4-[(11S)-12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl]phenyl] 4-methylbenzoate
CID 41339526
12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 3152568
11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one
CID 11695771
(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 1128092
12-(3,4-dimethylphenyl)-3,3-dimethyl-4,12-dihydro-2H-benzo[b]xanthene-1,6,11-trione
CID 102197257
4-(4-methylphenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
CID 162672971

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The IUPAC name of (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (CID 937360) is (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.
What is the SMILES notation for (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The canonical SMILES for (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is Cc1ccc([C@@H]2SC(=O)NC3=C2C(=O)c2ccccc23)cc1C.
What is the InChIKey of (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The InChIKey is NAQDFTWFOQGAGA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-10-7-8-12(9-11(10)2)18-15-16(20-19(22)23-18)13-5-3-4-6-14(13)17(15)21/h3-9,18H,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
(4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione has a molecular weight of 321.40 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dimethylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is sourced from PubChem (CID 937360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).