4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H18N4O4S2 — CID 2088924

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2088924) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
• PubChem CID: 2088924
• Molecular Formula: C15H18N4O4S2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.08
• IUPAC Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
• SMILES: C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)C[C@@H](C)O1
• InChI: InChI=1S/C15H18N4O4S2/c1-10-7-19(8-11(2)23-10)25(21,22)13-5-3-12(4-6-13)14(20)17-15-18-16-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,20)/t10-,11-/m1/s1
• InChIKey: FKLITBYKJBVFPK-GHMZBOCLSA-N
• XLogP: 1.59
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?

The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 2088924) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?

The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)C[C@@H](C)O1.

What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?

The InChIKey is FKLITBYKJBVFPK-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-10-7-19(8-11(2)23-10)25(21,22)13-5-3-12(4-6-13)14(20)17-15-18-16-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,20)/t10-,11-/m1/s1.

What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 382.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2088924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).