4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

C14H16N2O3S2 — CID 829818

IUPAC4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-11-15-14(10-20-11)12-2-4-13(5-3-12)21(17,18)16-6-8-19-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyDJUXGVRQKOHTBT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.14
Rot. Bonds3

About 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 829818) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID829818
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-11-15-14(10-20-11)12-2-4-13(5-3-12)21(17,18)16-6-8-19-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyDJUXGVRQKOHTBT-UHFFFAOYSA-N
XLogP2.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 829818) is 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is Cc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is DJUXGVRQKOHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-11-15-14(10-20-11)12-2-4-13(5-3-12)21(17,18)16-6-8-19-9-7-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 324.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 829818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).