1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one

C17H24N2O2S — CID 15080767

IUPAC1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C([C@@H]1CCCN1C(=O)CCCc1cccs1)N1CCCC1
InChIInChI=1S/C17H24N2O2S/c20-16(9-3-6-14-7-5-13-22-14)19-12-4-8-15(19)17(21)18-10-1-2-11-18/h5,7,13,15H,1-4,6,8-12H2/t15-/m0/s1
InChIKeyKQXDFASIWIMEQU-HNNXBMFYSA-N
MW320.46 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one

1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 15080767) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID15080767
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C([C@@H]1CCCN1C(=O)CCCc1cccs1)N1CCCC1
InChIInChI=1S/C17H24N2O2S/c20-16(9-3-6-14-7-5-13-22-14)19-12-4-8-15(19)17(21)18-10-1-2-11-18/h5,7,13,15H,1-4,6,8-12H2/t15-/m0/s1
InChIKeyKQXDFASIWIMEQU-HNNXBMFYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10021707
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N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride
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N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide
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(2S)-2-(2-oxo-4-thiophen-2-ylpyrrolidin-1-yl)butanamide
CID 9856359
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CID 70782553
1-Pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
CID 155523085
1-(4-Cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 162676750
2-methyl-N-(2-methylpropyl)-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one (CID 15080767) is 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one is O=C([C@@H]1CCCN1C(=O)CCCc1cccs1)N1CCCC1.
What is the InChIKey of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is KQXDFASIWIMEQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(9-3-6-14-7-5-13-22-14)19-12-4-8-15(19)17(21)18-10-1-2-11-18/h5,7,13,15H,1-4,6,8-12H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one?
1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 320.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 15080767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).