2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone

C14H20N2OS — CID 154840235

IUPAC2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
SMILESO=C(C[C@@H]1CCNC1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H20N2OS/c17-14(8-11-3-5-15-9-11)16-6-1-2-13(16)12-4-7-18-10-12/h4,7,10-11,13,15H,1-3,5-6,8-9H2/t11-,13?/m0/s1
InChIKeyQBIBEUMORIXQIB-AMGKYWFPSA-N
MW264.39 g/mol
LogP2.41
Rot. Bonds3

About 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone

2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone (PubChem CID 154840235) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
PubChem CID154840235
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
SMILESO=C(C[C@@H]1CCNC1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H20N2OS/c17-14(8-11-3-5-15-9-11)16-6-1-2-13(16)12-4-7-18-10-12/h4,7,10-11,13,15H,1-3,5-6,8-9H2/t11-,13?/m0/s1
InChIKeyQBIBEUMORIXQIB-AMGKYWFPSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95281918
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94117584
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
2-methyl-4-oxo-2-propan-2-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butanoic acid
CID 60948810
5,5-dimethyl-3-[4-oxo-4-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]butyl]imidazolidine-2,4-dione
CID 94117692
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone (CID 154840235) is 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone is O=C(C[C@@H]1CCNC1)N1CCCC1c1ccsc1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The InChIKey is QBIBEUMORIXQIB-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(8-11-3-5-15-9-11)16-6-1-2-13(16)12-4-7-18-10-12/h4,7,10-11,13,15H,1-3,5-6,8-9H2/t11-,13?/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 154840235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).