pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C14H14N2OS — CID 51729082

IUPACpyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C14H14N2OS/c17-14(11-3-1-6-15-9-11)16-7-2-4-13(16)12-5-8-18-10-12/h1,3,5-6,8-10,13H,2,4,7H2/t13-/m0/s1
InChIKeyFRGXXMPIZAJZJZ-ZDUSSCGKSA-N
MW258.35 g/mol
LogP3.12
Rot. Bonds2

About pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51729082) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51729082
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Namepyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C14H14N2OS/c17-14(11-3-1-6-15-9-11)16-7-2-4-13(16)12-5-8-18-10-12/h1,3,5-6,8-10,13H,2,4,7H2/t13-/m0/s1
InChIKeyFRGXXMPIZAJZJZ-ZDUSSCGKSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949199
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71895409
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963138
N-pyridin-4-yl-4-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 51949204
N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 51949206
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51729082) is pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is FRGXXMPIZAJZJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(11-3-1-6-15-9-11)16-7-2-4-13(16)12-5-8-18-10-12/h1,3,5-6,8-10,13H,2,4,7H2/t13-/m0/s1.
What are the key properties of pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 258.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51729082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).