(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

C20H21N3O3S2 — CID 35042804

IUPAC(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C[C@@H](C)O1
InChIInChI=1S/C20H21N3O3S2/c1-14-11-23(12-15(2)26-14)28(24,25)18-7-3-5-16(9-18)19-13-27-20(22-19)17-6-4-8-21-10-17/h3-10,13-15H,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyVPXGFZBECNSKKX-HUUCEWRRSA-N
MW415.54 g/mol
LogP3.67
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 35042804) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID35042804
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C[C@@H](C)O1
InChIInChI=1S/C20H21N3O3S2/c1-14-11-23(12-15(2)26-14)28(24,25)18-7-3-5-16(9-18)19-13-27-20(22-19)17-6-4-8-21-10-17/h3-10,13-15H,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyVPXGFZBECNSKKX-HUUCEWRRSA-N
XLogP3.67
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 35042804) is (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is VPXGFZBECNSKKX-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14-11-23(12-15(2)26-14)28(24,25)18-7-3-5-16(9-18)19-13-27-20(22-19)17-6-4-8-21-10-17/h3-10,13-15H,11-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 415.54 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 35042804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).