4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine

C13H18BrNO2S2 — CID 113252457

IUPAC4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C13H18BrNO2S2/c1-10-4-5-11(14)8-12(10)19(16,17)15-6-7-18-13(2,3)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyZPZDTOPLKZKTJB-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.27
Rot. Bonds2

About 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine

4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine (PubChem CID 113252457) has the molecular formula C13H18BrNO2S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine
PubChem CID113252457
Molecular FormulaC13H18BrNO2S2
Molecular Weight364.33 g/mol
Exact Mass363.00
IUPAC Name4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C13H18BrNO2S2/c1-10-4-5-11(14)8-12(10)19(16,17)15-6-7-18-13(2,3)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyZPZDTOPLKZKTJB-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine 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-bromo-3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-2-methylaniline
CID 114380320
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-4-methylaniline
CID 107452627
4-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-3-methylbenzenecarbothioamide
CID 106998568
4-[(5-bromo-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
CID 113252456
2-bromo-5-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 116530684
4-(5-bromo-2-methylphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650834
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-4-methylbenzonitrile
CID 107271362
1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one
CID 61215707
2-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 102919651
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 103896903

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine?
The IUPAC name of 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine (CID 113252457) is 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine is Cc1ccc(Br)cc1S(=O)(=O)N1CCSC(C)(C)C1.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine?
The InChIKey is ZPZDTOPLKZKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S2/c1-10-4-5-11(14)8-12(10)19(16,17)15-6-7-18-13(2,3)9-15/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine?
4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine has a molecular weight of 364.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine is sourced from PubChem (CID 113252457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).