4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C13H21N3O3S2 — CID 61013272

About 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 61013272) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
• PubChem CID: 61013272
• Molecular Formula: C13H21N3O3S2
• Molecular Weight: 331.46 g/mol
• Exact Mass: 331.10
• IUPAC Name: 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
• SMILES: Cc1[nH]c(=O)sc1S(=O)(=O)NCC1CC2CCC(C1)N2C
• InChI: InChI=1S/C13H21N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)14-7-9-5-10-3-4-11(6-9)16(10)2/h9-11,14H,3-7H2,1-2H3,(H,15,17)
• InChIKey: PIDFFUAXAQYNAB-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.46
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?

The IUPAC name of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 61013272) is 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?

The canonical SMILES for 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1CC2CCC(C1)N2C.

What is the InChIKey of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?

The InChIKey is PIDFFUAXAQYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)14-7-9-5-10-3-4-11(6-9)16(10)2/h9-11,14H,3-7H2,1-2H3,(H,15,17).

What are the key properties of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?

4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61013272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).