2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide

C19H29N6O2S+ — CID 8799350

About 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide (PubChem CID 8799350) has the molecular formula C19H29N6O2S+ and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide
• PubChem CID: 8799350
• Molecular Formula: C19H29N6O2S+
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.21
• IUPAC Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide
• SMILES: Cc1cccc(-n2nnnc2SCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C
• InChI: InChI=1S/C19H28N6O2S/c1-14-6-5-7-16(15(14)2)25-18(21-22-23-25)28-12-17(26)20-13-19(3,4)24-8-10-27-11-9-24/h5-7H,8-13H2,1-4H3,(H,20,26)/p+1
• InChIKey: DYWPYOWNEHFTEO-UHFFFAOYSA-O
• XLogP: 0.18
• TPSA: 86.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	0.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide?

The IUPAC name of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide (CID 8799350) is 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide.

What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide?

The canonical SMILES for 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide is Cc1cccc(-n2nnnc2SCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C.

What is the InChIKey of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide?

The InChIKey is DYWPYOWNEHFTEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N6O2S/c1-14-6-5-7-16(15(14)2)25-18(21-22-23-25)28-12-17(26)20-13-19(3,4)24-8-10-27-11-9-24/h5-7H,8-13H2,1-4H3,(H,20,26)/p+1.

What are the key properties of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide?

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide has a molecular weight of 405.55 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide is sourced from PubChem (CID 8799350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).