4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine

C12H13N3O3S2 — CID 18346888

IUPAC4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1nc(-c2ccccc2)ns1)N1CCOCC1
InChIInChI=1S/C12H13N3O3S2/c16-20(17,15-6-8-18-9-7-15)12-13-11(14-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyJZPONVXOXBRQHP-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.23
Rot. Bonds3

About 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine

4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine (PubChem CID 18346888) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
PubChem CID18346888
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1nc(-c2ccccc2)ns1)N1CCOCC1
InChIInChI=1S/C12H13N3O3S2/c16-20(17,15-6-8-18-9-7-15)12-13-11(14-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyJZPONVXOXBRQHP-UHFFFAOYSA-N
XLogP1.23
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
CID 86797605
5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133310556
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
N,N-dimethyl-N'-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]methanimidamide
CID 67946084
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075404
4-[2-chloro-4-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine
CID 163403513
2-morpholin-4-ylsulfonyl-3-phenylaniline
CID 174609206
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine (CID 18346888) is 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine is O=S(=O)(c1nc(-c2ccccc2)ns1)N1CCOCC1.
What is the InChIKey of 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine?
The InChIKey is JZPONVXOXBRQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c16-20(17,15-6-8-18-9-7-15)12-13-11(14-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine?
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine has a molecular weight of 311.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine is sourced from PubChem (CID 18346888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).