(5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C19H23N3O2S — CID 129473831

About (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129473831) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129473831
• Molecular Formula: C19H23N3O2S
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.15
• IUPAC Name: (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)s1
• InChI: InChI=1S/C19H23N3O2S/c1-14-6-7-17(25-14)19(23)22-12-8-15(13-22)24-16-5-4-9-20-18(16)21-10-2-3-11-21/h4-7,9,15H,2-3,8,10-13H2,1H3/t15-/m1/s1
• InChIKey: CSOMJUNDSKYXJD-OAHLLOKOSA-N
• XLogP: 3.35
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129473831) is (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)s1.

What is the InChIKey of (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is CSOMJUNDSKYXJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-6-7-17(25-14)19(23)22-12-8-15(13-22)24-16-5-4-9-20-18(16)21-10-2-3-11-21/h4-7,9,15H,2-3,8,10-13H2,1H3/t15-/m1/s1.

What are the key properties of (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 357.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129473831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).