3-(1-benzothiophen-3-ylmethoxy)pyrrolidine

C13H15NOS — CID 63737908

IUPAC3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
SMILESc1ccc2c(COC3CCNC3)csc2c1
InChIInChI=1S/C13H15NOS/c1-2-4-13-12(3-1)10(9-16-13)8-15-11-5-6-14-7-11/h1-4,9,11,14H,5-8H2
InChIKeyNKJUXXKXBFKNGT-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.78
Rot. Bonds3

About 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine

3-(1-benzothiophen-3-ylmethoxy)pyrrolidine (PubChem CID 63737908) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
PubChem CID63737908
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
SMILESc1ccc2c(COC3CCNC3)csc2c1
InChIInChI=1S/C13H15NOS/c1-2-4-13-12(3-1)10(9-16-13)8-15-11-5-6-14-7-11/h1-4,9,11,14H,5-8H2
InChIKeyNKJUXXKXBFKNGT-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
4-(naphthalen-1-ylmethoxy)piperidine
CID 13194444
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68921724
4-(1-benzothiophen-3-yl)-3-methylpiperidine
CID 79320889
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride
CID 68921723
6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
CID 114775576
1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
CID 65145479
5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 71636911
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine?
The IUPAC name of 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine (CID 63737908) is 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine is c1ccc2c(COC3CCNC3)csc2c1.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine?
The InChIKey is NKJUXXKXBFKNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-4-13-12(3-1)10(9-16-13)8-15-11-5-6-14-7-11/h1-4,9,11,14H,5-8H2.
What are the key properties of 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine?
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine has a molecular weight of 233.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-ylmethoxy)pyrrolidine is sourced from PubChem (CID 63737908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).