2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine

C23H32N2OS — CID 175845814

About 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine

2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine (PubChem CID 175845814) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
• PubChem CID: 175845814
• Molecular Formula: C23H32N2OS
• Molecular Weight: 384.59 g/mol
• Exact Mass: 384.22
• IUPAC Name: 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
• SMILES: Cc1ccc(C(C)(C)N2CC[C@](CCc3cccs3)([C@@H]3CCCO3)C2)cn1
• InChI: InChI=1S/C23H32N2OS/c1-18-8-9-19(16-24-18)22(2,3)25-13-12-23(17-25,21-7-4-14-26-21)11-10-20-6-5-15-27-20/h5-6,8-9,15-16,21H,4,7,10-14,17H2,1-3H3/t21-,23-/m0/s1
• InChIKey: XKXKPOGKKBXWMV-GMAHTHKFSA-N
• XLogP: 5.19
• TPSA: 25.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?

The IUPAC name of 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine (CID 175845814) is 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine.

What is the SMILES notation for 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?

The canonical SMILES for 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine is Cc1ccc(C(C)(C)N2CC[C@](CCc3cccs3)([C@@H]3CCCO3)C2)cn1.

What is the InChIKey of 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?

The InChIKey is XKXKPOGKKBXWMV-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-18-8-9-19(16-24-18)22(2,3)25-13-12-23(17-25,21-7-4-14-26-21)11-10-20-6-5-15-27-20/h5-6,8-9,15-16,21H,4,7,10-14,17H2,1-3H3/t21-,23-/m0/s1.

What are the key properties of 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?

2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine has a molecular weight of 384.59 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine is sourced from PubChem (CID 175845814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).