1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H22N4O4S2 — CID 53106135

About 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 53106135) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 53106135
• Molecular Formula: C20H22N4O4S2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.11
• IUPAC Name: 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)c1
• InChI: InChI=1S/C20H22N4O4S2/c1-13-5-8-21-18(11-13)22-19(25)14-6-9-24(10-7-14)30(27,28)15-3-4-16-17(12-15)29-20(26)23(16)2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,21,22,25)
• InChIKey: YTLCOOUSEYEMFE-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The IUPAC name of 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 53106135) is 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)c1.

What is the InChIKey of 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The InChIKey is YTLCOOUSEYEMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-13-5-8-21-18(11-13)22-19(25)14-6-9-24(10-7-14)30(27,28)15-3-4-16-17(12-15)29-20(26)23(16)2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,21,22,25).

What are the key properties of 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 53106135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).