4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine

C14H21NO2S2 — CID 6462784

IUPAC4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCSCC2)c1C
InChIInChI=1S/C14H21NO2S2/c1-10-9-11(2)13(4)14(12(10)3)19(16,17)15-5-7-18-8-6-15/h9H,5-8H2,1-4H3
InChIKeyYUKBHOPCTAYPLA-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.66
Rot. Bonds2

About 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine

4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine (PubChem CID 6462784) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine
PubChem CID6462784
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCSCC2)c1C
InChIInChI=1S/C14H21NO2S2/c1-10-9-11(2)13(4)14(12(10)3)19(16,17)15-5-7-18-8-6-15/h9H,5-8H2,1-4H3
InChIKeyYUKBHOPCTAYPLA-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine 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

4-[(2,3,4,5,6-Pentamethylphenyl)sulfonyl]thiomorpholine
CID 2804956
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
N,2,3,5,6-pentamethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 16245372
4-[3-(Methylsulfanylmethyl)phenyl]sulfonylthiomorpholine
CID 71688905
Piperidine, 1-[(2,3,4,5-tetramethylphenyl)sulfonyl]-
CID 2990879
N,N,2,3,5,6-hexamethylbenzenesulfonamide
CID 6463325
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine hydrochloride
CID 42917349
1-Methyl-4-(2,4,5-trimethylphenyl)sulfonylpiperazine
CID 802059
N,N-diethyl-2,3,4-trimethylbenzenesulfonamide
CID 802523
4-[(2,3,5,6-Tetramethylphenyl)sulfonyl]morpholine
CID 898155
1-((2,3,5,6-Tetramethylphenyl)sulfonyl)pyrrolidine
CID 977143

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine (CID 6462784) is 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCSCC2)c1C.
What is the InChIKey of 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine?
The InChIKey is YUKBHOPCTAYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-10-9-11(2)13(4)14(12(10)3)19(16,17)15-5-7-18-8-6-15/h9H,5-8H2,1-4H3.
What are the key properties of 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine?
4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine has a molecular weight of 299.46 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetramethylphenyl)sulfonylthiomorpholine is sourced from PubChem (CID 6462784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).