N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C19H19N3O5S3 — CID 16826480

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 16826480) has the molecular formula C19H19N3O5S3 and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
• PubChem CID: 16826480
• Molecular Formula: C19H19N3O5S3
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.05
• IUPAC Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
• SMILES: O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCN1S(=O)(=O)c1cccs1
• InChI: InChI=1S/C19H19N3O5S3/c23-18(13-4-1-2-6-22(13)30(24,25)17-5-3-9-28-17)21-19-20-12-10-14-15(11-16(12)29-19)27-8-7-26-14/h3,5,9-11,13H,1-2,4,6-8H2,(H,20,21,23)
• InChIKey: XYLZEPWOKVNIKI-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?

The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 16826480) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?

The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCN1S(=O)(=O)c1cccs1.

What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?

The InChIKey is XYLZEPWOKVNIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S3/c23-18(13-4-1-2-6-22(13)30(24,25)17-5-3-9-28-17)21-19-20-12-10-14-15(11-16(12)29-19)27-8-7-26-14/h3,5,9-11,13H,1-2,4,6-8H2,(H,20,21,23).

What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 16826480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).