pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone

C16H17NO2S — CID 126830676

IUPACpyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2ccsc2)cc1)N1CCCC1
InChIInChI=1S/C16H17NO2S/c18-16(17-8-1-2-9-17)14-3-5-15(6-4-14)19-11-13-7-10-20-12-13/h3-7,10,12H,1-2,8-9,11H2
InChIKeyOALKYEIRGOEOJC-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.56
Rot. Bonds4

About pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone

pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone (PubChem CID 126830676) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
PubChem CID126830676
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Namepyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2ccsc2)cc1)N1CCCC1
InChIInChI=1S/C16H17NO2S/c18-16(17-8-1-2-9-17)14-3-5-15(6-4-14)19-11-13-7-10-20-12-13/h3-7,10,12H,1-2,8-9,11H2
InChIKeyOALKYEIRGOEOJC-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
(4-methylpiperidin-1-yl)-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone
CID 53150128
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 51190549
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 17401303
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone (CID 126830676) is pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone is O=C(c1ccc(OCc2ccsc2)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone?
The InChIKey is OALKYEIRGOEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(17-8-1-2-9-17)14-3-5-15(6-4-14)19-11-13-7-10-20-12-13/h3-7,10,12H,1-2,8-9,11H2.
What are the key properties of pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone?
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone has a molecular weight of 287.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 126830676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).