4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine

C19H23NO3S2 — CID 7458388

IUPAC4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
SMILESCc1ccc(C)c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H23NO3S2/c1-15-6-7-16(2)19(12-15)24-14-17-4-3-5-18(13-17)25(21,22)20-8-10-23-11-9-20/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyPUEDUNQLBOBBOD-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.62
Rot. Bonds5

About 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine

4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine (PubChem CID 7458388) has the molecular formula C19H23NO3S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
PubChem CID7458388
Molecular FormulaC19H23NO3S2
Molecular Weight377.53 g/mol
Exact Mass377.11
IUPAC Name4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
SMILESCc1ccc(C)c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H23NO3S2/c1-15-6-7-16(2)19(12-15)24-14-17-4-3-5-18(13-17)25(21,22)20-8-10-23-11-9-20/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyPUEDUNQLBOBBOD-UHFFFAOYSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine 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-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]sulfonylmorpholine
CID 7785141
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
CID 9354119
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
N-(2,3-dimethylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 30516335
4-[3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 16603039
4-[3-(1-adamantylsulfanylmethyl)phenyl]sulfonylmorpholine
CID 8513394
(3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate
CID 8775921
4-[3-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 17463516
[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 4123698
N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
CID 51120749
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
4-[3-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 26010372

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine (CID 7458388) is 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine is Cc1ccc(C)c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine?
The InChIKey is PUEDUNQLBOBBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S2/c1-15-6-7-16(2)19(12-15)24-14-17-4-3-5-18(13-17)25(21,22)20-8-10-23-11-9-20/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine?
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine has a molecular weight of 377.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 7458388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).