(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C16H18N2O2S — CID 92867860

IUPAC(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(2)12-7-9-13(10-8-12)16-17-14-5-3-4-6-15(14)21(19,20)18-16/h3-11,16-18H,1-2H3/t16-/m0/s1
InChIKeyAKKKGAWOXQZLMH-INIZCTEOSA-N
MW302.40 g/mol
LogP3.21
Rot. Bonds2

About (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 92867860) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID92867860
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(2)12-7-9-13(10-8-12)16-17-14-5-3-4-6-15(14)21(19,20)18-16/h3-11,16-18H,1-2H3/t16-/m0/s1
InChIKeyAKKKGAWOXQZLMH-INIZCTEOSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide 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

(3S)-3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 92715091
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 34364364
ethyl 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzoate
CID 92867827
(3S)-3-(3-bromo-4-fluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 51966284
(3S)-7-chloro-3-phenyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 129383644
N-(2,6-dimethylphenyl)-4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzamide
CID 92876196
N-(4-bromophenyl)-4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzamide
CID 27567853
N-(2-chloro-4-methylphenyl)-4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)benzamide
CID 46369447
(4-methylphenyl)methyl 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzoate
CID 27373779
3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10515551
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 92867860) is (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1.
What is the InChIKey of (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is AKKKGAWOXQZLMH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(2)12-7-9-13(10-8-12)16-17-14-5-3-4-6-15(14)21(19,20)18-16/h3-11,16-18H,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 302.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 92867860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).