4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine

C13H14N2O3S2 — CID 139582355

IUPAC4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1csc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C13H14N2O3S2/c16-20(17,15-6-8-18-9-7-15)12-10-19-13(14-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyDCGGCZLKPHZOPT-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.83
Rot. Bonds3

About 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine

4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine (PubChem CID 139582355) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
PubChem CID139582355
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1csc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C13H14N2O3S2/c16-20(17,15-6-8-18-9-7-15)12-10-19-13(14-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyDCGGCZLKPHZOPT-UHFFFAOYSA-N
XLogP1.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
CID 135687417
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888
(2R)-4-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonyl]-2-methylmorpholine
CID 52537974
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2386671
(2-phenyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530468
(3aS,6aR)-2-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122070625
4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole
CID 15354638
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
2-morpholin-4-ylsulfonyl-3-phenylaniline
CID 174609206

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine (CID 139582355) is 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine is O=S(=O)(c1csc(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine?
The InChIKey is DCGGCZLKPHZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-20(17,15-6-8-18-9-7-15)12-10-19-13(14-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine?
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine has a molecular weight of 310.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine is sourced from PubChem (CID 139582355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).