(3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C25H30N2O2S — CID 92605148

About (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92605148) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92605148
• Molecular Formula: C25H30N2O2S
• Molecular Weight: 422.59 g/mol
• Exact Mass: 422.20
• IUPAC Name: (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CC23CCC3)C1
• InChI: InChI=1S/C25H30N2O2S/c1-26(2)23(29)25(15-18-6-3-7-19(14-18)21-8-4-13-30-21)11-12-27(17-25)22(28)20-16-24(20)9-5-10-24/h3-4,6-8,13-14,20H,5,9-12,15-17H2,1-2H3/t20-,25-/m0/s1
• InChIKey: DYIKNJNOVNKZAO-CPJSRVTESA-N
• XLogP: 4.45
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.59
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92605148) is (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CC23CCC3)C1.

What is the InChIKey of (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is DYIKNJNOVNKZAO-CPJSRVTESA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-26(2)23(29)25(15-18-6-3-7-19(14-18)21-8-4-13-30-21)11-12-27(17-25)22(28)20-16-24(20)9-5-10-24/h3-4,6-8,13-14,20H,5,9-12,15-17H2,1-2H3/t20-,25-/m0/s1.

What are the key properties of (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

(3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 422.59 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N,N-dimethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92605148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).