phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C15H15NOS — CID 60770024

IUPACphenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC1c1ccsc1
InChIInChI=1S/C15H15NOS/c17-15(12-5-2-1-3-6-12)16-9-4-7-14(16)13-8-10-18-11-13/h1-3,5-6,8,10-11,14H,4,7,9H2
InChIKeyFTYHXMJZQYQSQU-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.73
Rot. Bonds2

About phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 60770024) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID60770024
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Namephenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC1c1ccsc1
InChIInChI=1S/C15H15NOS/c17-15(12-5-2-1-3-6-12)16-9-4-7-14(16)13-8-10-18-11-13/h1-3,5-6,8,10-11,14H,4,7,9H2
InChIKeyFTYHXMJZQYQSQU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949242
(4-propan-2-ylsulfonylphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55776937
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948024

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 60770024) is phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccccc1)N1CCCC1c1ccsc1.
What is the InChIKey of phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is FTYHXMJZQYQSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(12-5-2-1-3-6-12)16-9-4-7-14(16)13-8-10-18-11-13/h1-3,5-6,8,10-11,14H,4,7,9H2.
What are the key properties of phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 257.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60770024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).