(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one

C14H18N2O2S — CID 94171138

IUPAC(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1
InChIInChI=1S/C14H18N2O2S/c17-13-4-3-10(8-15-13)14(18)16-6-1-2-12(16)11-5-7-19-9-11/h5,7,9-10,12H,1-4,6,8H2,(H,15,17)/t10-,12-/m0/s1
InChIKeyISOHBILGJQSDNH-JQWIXIFHSA-N
MW278.38 g/mol
LogP1.94
Rot. Bonds2

About (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one

(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one (PubChem CID 94171138) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
PubChem CID94171138
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1
InChIInChI=1S/C14H18N2O2S/c17-13-4-3-10(8-15-13)14(18)16-6-1-2-12(16)11-5-7-19-9-11/h5,7,9-10,12H,1-4,6,8H2,(H,15,17)/t10-,12-/m0/s1
InChIKeyISOHBILGJQSDNH-JQWIXIFHSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.94
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
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 55714290
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 154840235

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one (CID 94171138) is (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one is O=C1CC[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1.
What is the InChIKey of (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one?
The InChIKey is ISOHBILGJQSDNH-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13-4-3-10(8-15-13)14(18)16-6-1-2-12(16)11-5-7-19-9-11/h5,7,9-10,12H,1-4,6,8H2,(H,15,17)/t10-,12-/m0/s1.
What are the key properties of (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one?
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one has a molecular weight of 278.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 94171138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).