(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine

C14H15BrN2O3S2 — CID 52537974

IUPAC(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCO1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-8-17(6-7-20-10)22(18,19)13-9-21-14(16-13)11-2-4-12(15)5-3-11/h2-5,9-10H,6-8H2,1H3/t10-/m1/s1
InChIKeyOIEOBEALQBRXBQ-SNVBAGLBSA-N
MW403.32 g/mol
LogP2.98
Rot. Bonds3

About (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine

(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine (PubChem CID 52537974) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine
PubChem CID52537974
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Name(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCO1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-8-17(6-7-20-10)22(18,19)13-9-21-14(16-13)11-2-4-12(15)5-3-11/h2-5,9-10H,6-8H2,1H3/t10-/m1/s1
InChIKeyOIEOBEALQBRXBQ-SNVBAGLBSA-N
XLogP2.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine 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)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine?
The IUPAC name of (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine (CID 52537974) is (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine.
What is the SMILES notation for (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine?
The canonical SMILES for (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine is C[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCO1.
What is the InChIKey of (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine?
The InChIKey is OIEOBEALQBRXBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-10-8-17(6-7-20-10)22(18,19)13-9-21-14(16-13)11-2-4-12(15)5-3-11/h2-5,9-10H,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine?
(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine has a molecular weight of 403.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine is sourced from PubChem (CID 52537974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).