(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C15H22N2O2S — CID 100836452

IUPAC(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)[C@@H]1CCCO1
InChIInChI=1S/C15H22N2O2S/c1-11(14-5-3-8-19-14)16-15(18)17-7-2-4-13(17)12-6-9-20-10-12/h6,9-11,13-14H,2-5,7-8H2,1H3,(H,16,18)/t11-,13-,14-/m0/s1
InChIKeyQTIKCAORIYLBQJ-UBHSHLNASA-N
MW294.42 g/mol
LogP3.16
Rot. Bonds3

About (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 100836452) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID100836452
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)[C@@H]1CCCO1
InChIInChI=1S/C15H22N2O2S/c1-11(14-5-3-8-19-14)16-15(18)17-7-2-4-13(17)12-6-9-20-10-12/h6,9-11,13-14H,2-5,7-8H2,1H3,(H,16,18)/t11-,13-,14-/m0/s1
InChIKeyQTIKCAORIYLBQJ-UBHSHLNASA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 100836452) is (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is QTIKCAORIYLBQJ-UBHSHLNASA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(14-5-3-8-19-14)16-15(18)17-7-2-4-13(17)12-6-9-20-10-12/h6,9-11,13-14H,2-5,7-8H2,1H3,(H,16,18)/t11-,13-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100836452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).