(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide

C16H19N3OS — CID 71465850

IUPAC(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide
SMILESC[C@H]1CCCN1C(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C16H19N3OS/c1-11-4-2-8-19(11)16(20)18-14-10-12(6-7-13(14)17)15-5-3-9-21-15/h3,5-7,9-11H,2,4,8,17H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyJPOMDJCXXMHTJT-NSHDSACASA-N
MW301.42 g/mol
LogP4.01
Rot. Bonds2

About (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide

(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 71465850) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID71465850
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide
SMILESC[C@H]1CCCN1C(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C16H19N3OS/c1-11-4-2-8-19(11)16(20)18-14-10-12(6-7-13(14)17)15-5-3-9-21-15/h3,5-7,9-11H,2,4,8,17H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyJPOMDJCXXMHTJT-NSHDSACASA-N
XLogP4.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide (CID 71465850) is (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide is C[C@H]1CCCN1C(=O)Nc1cc(-c2cccs2)ccc1N.
What is the InChIKey of (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is JPOMDJCXXMHTJT-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-4-2-8-19(11)16(20)18-14-10-12(6-7-13(14)17)15-5-3-9-21-15/h3,5-7,9-11H,2,4,8,17H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide?
(2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-5-thiophen-2-ylphenyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71465850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).