1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea

C17H26N6O3S2 — CID 175712963

About 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea

1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea (PubChem CID 175712963) has the molecular formula C17H26N6O3S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea.

Molecular Properties

• Compound Name: 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
• PubChem CID: 175712963
• Molecular Formula: C17H26N6O3S2
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.15
• IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
• SMILES: Cc1cc(N(C(N)=O)S(=O)(=O)N(c2cnn(C)c2)C2CCCN(C)C2)c(C)s1
• InChI: InChI=1S/C17H26N6O3S2/c1-12-8-16(13(2)27-12)23(17(18)24)28(25,26)22(15-9-19-21(4)11-15)14-6-5-7-20(3)10-14/h8-9,11,14H,5-7,10H2,1-4H3,(H2,18,24)
• InChIKey: TZUPBKVKSWOXCK-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 104.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?

The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea (CID 175712963) is 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea.

What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?

The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea is Cc1cc(N(C(N)=O)S(=O)(=O)N(c2cnn(C)c2)C2CCCN(C)C2)c(C)s1.

What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?

The InChIKey is TZUPBKVKSWOXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S2/c1-12-8-16(13(2)27-12)23(17(18)24)28(25,26)22(15-9-19-21(4)11-15)14-6-5-7-20(3)10-14/h8-9,11,14H,5-7,10H2,1-4H3,(H2,18,24).

What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?

1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea has a molecular weight of 426.57 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea is sourced from PubChem (CID 175712963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).