[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium

C17H28N3O3S+ — CID 8926103

About [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium

[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8926103) has the molecular formula C17H28N3O3S+ and a molecular weight of 354.50 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

• Compound Name: [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
• PubChem CID: 8926103
• Molecular Formula: C17H28N3O3S+
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.18
• IUPAC Name: [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
• SMILES: CCCNC(=O)CNC(=O)C[NH+](Cc1cccs1)C[C@H]1CCCO1
• InChI: InChI=1S/C17H27N3O3S/c1-2-7-18-16(21)10-19-17(22)13-20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h4,6,9,14H,2-3,5,7-8,10-13H2,1H3,(H,18,21)(H,19,22)/p+1/t14-/m1/s1
• InChIKey: NMJMINBUFDUUSE-CQSZACIVSA-O
• XLogP: -0.05
• TPSA: 71.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?

The IUPAC name of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium (CID 8926103) is [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium.

What is the SMILES notation for [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?

The canonical SMILES for [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium is CCCNC(=O)CNC(=O)C[NH+](Cc1cccs1)C[C@H]1CCCO1.

What is the InChIKey of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?

The InChIKey is NMJMINBUFDUUSE-CQSZACIVSA-O. The full InChI is InChI=1S/C17H27N3O3S/c1-2-7-18-16(21)10-19-17(22)13-20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h4,6,9,14H,2-3,5,7-8,10-13H2,1H3,(H,18,21)(H,19,22)/p+1/t14-/m1/s1.

What are the key properties of [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?

[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 354.50 g/mol, XLogP of -0.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8926103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).