(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine

C20H25NO3S — CID 134953438

IUPAC(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)COC[C@H]2C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)19-13-24-14-20(17-7-5-4-6-8-17)21(19)25(22,23)18-11-9-16(3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3/t19-,20+/m0/s1
InChIKeyQOYQPDNTXIUVFM-VQTJNVASSA-N
MW359.49 g/mol
LogP3.78
Rot. Bonds4

About (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine

(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine (PubChem CID 134953438) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine.

Molecular Properties

Compound Name(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
PubChem CID134953438
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)COC[C@H]2C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)19-13-24-14-20(17-7-5-4-6-8-17)21(19)25(22,23)18-11-9-16(3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3/t19-,20+/m0/s1
InChIKeyQOYQPDNTXIUVFM-VQTJNVASSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine 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

(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
CID 12023220
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
CID 86224665
(5S)-5-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]cyclopent-2-en-1-one
CID 11825141
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(2S,3R,4S)-3-bromo-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-ylazetidine
CID 101070988
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine?
The IUPAC name of (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine (CID 134953438) is (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine.
What is the SMILES notation for (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine?
The canonical SMILES for (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine is Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)COC[C@H]2C(C)C)cc1.
What is the InChIKey of (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine?
The InChIKey is QOYQPDNTXIUVFM-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15(2)19-13-24-14-20(17-7-5-4-6-8-17)21(19)25(22,23)18-11-9-16(3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine?
(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine has a molecular weight of 359.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine is sourced from PubChem (CID 134953438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).