1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C16H21BrN4O3S3 — CID 112760979

About 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 112760979) has the molecular formula C16H21BrN4O3S3 and a molecular weight of 493.47 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 112760979
• Molecular Formula: C16H21BrN4O3S3
• Molecular Weight: 493.47 g/mol
• Exact Mass: 492.00
• IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: CC(C)Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)s1
• InChI: InChI=1S/C16H21BrN4O3S3/c1-10(2)9-13-19-20-16(26-13)18-15(22)11-5-7-21(8-6-11)27(23,24)14-4-3-12(17)25-14/h3-4,10-11H,5-9H2,1-2H3,(H,18,20,22)
• InChIKey: LODGDQMUKQQWJN-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.47
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 112760979) is 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(C)Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)s1.

What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is LODGDQMUKQQWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O3S3/c1-10(2)9-13-19-20-16(26-13)18-15(22)11-5-7-21(8-6-11)27(23,24)14-4-3-12(17)25-14/h3-4,10-11H,5-9H2,1-2H3,(H,18,20,22).

What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 493.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 112760979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).