1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine

C17H21NOS — CID 166193735

IUPAC1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
SMILESc1ccc(OCCCN2CCCC2c2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-2-7-15(8-3-1)19-13-6-12-18-11-4-9-16(18)17-10-5-14-20-17/h1-3,5,7-8,10,14,16H,4,6,9,11-13H2
InChIKeyUSWRMSJBKNBOMT-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.35
Rot. Bonds6

About 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine

1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine (PubChem CID 166193735) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
PubChem CID166193735
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
SMILESc1ccc(OCCCN2CCCC2c2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-2-7-15(8-3-1)19-13-6-12-18-11-4-9-16(18)17-10-5-14-20-17/h1-3,5,7-8,10,14,16H,4,6,9,11-13H2
InChIKeyUSWRMSJBKNBOMT-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
2-(2-phenoxyethylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 86978365
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
(2R)-1-[(4-propoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878166
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
CID 134035739
N-cyclopropyl-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 34187335

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine (CID 166193735) is 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine is c1ccc(OCCCN2CCCC2c2cccs2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine?
The InChIKey is USWRMSJBKNBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-7-15(8-3-1)19-13-6-12-18-11-4-9-16(18)17-10-5-14-20-17/h1-3,5,7-8,10,14,16H,4,6,9,11-13H2.
What are the key properties of 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine?
1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine has a molecular weight of 287.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 166193735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).