methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C13H20N3O2S+ — CID 8804576

About methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8804576) has the molecular formula C13H20N3O2S+ and a molecular weight of 282.39 g/mol. Its IUPAC name is methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

• Compound Name: methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
• PubChem CID: 8804576
• Molecular Formula: C13H20N3O2S+
• Molecular Weight: 282.39 g/mol
• Exact Mass: 282.13
• IUPAC Name: methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
• SMILES: Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)N1CCNC1=O
• InChI: InChI=1S/C13H19N3O2S/c1-9-4-7-19-11(9)8-15(3)10(2)12(17)16-6-5-14-13(16)18/h4,7,10H,5-6,8H2,1-3H3,(H,14,18)/p+1/t10-/m0/s1
• InChIKey: QJWSFDNDYUBRRE-JTQLQIEISA-O
• XLogP: 0.01
• TPSA: 53.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.39
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?

The IUPAC name of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8804576) is methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

What is the SMILES notation for methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?

The canonical SMILES for methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)N1CCNC1=O.

What is the InChIKey of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?

The InChIKey is QJWSFDNDYUBRRE-JTQLQIEISA-O. The full InChI is InChI=1S/C13H19N3O2S/c1-9-4-7-19-11(9)8-15(3)10(2)12(17)16-6-5-14-13(16)18/h4,7,10H,5-6,8H2,1-3H3,(H,14,18)/p+1/t10-/m0/s1.

What are the key properties of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?

methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 282.39 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8804576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).