1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine

C15H20N2S — CID 65474122

IUPAC1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc3sccc3c2)C1
InChIInChI=1S/C15H20N2S/c1-2-7-16-13-5-8-17(11-13)14-3-4-15-12(10-14)6-9-18-15/h3-4,6,9-10,13,16H,2,5,7-8,11H2,1H3
InChIKeyHRYFBGMNQKHEND-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.48
Rot. Bonds4

About 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine

1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine (PubChem CID 65474122) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
PubChem CID65474122
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc3sccc3c2)C1
InChIInChI=1S/C15H20N2S/c1-2-7-16-13-5-8-17(11-13)14-3-4-15-12(10-14)6-9-18-15/h3-4,6,9-10,13,16H,2,5,7-8,11H2,1H3
InChIKeyHRYFBGMNQKHEND-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine (CID 65474122) is 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2ccc3sccc3c2)C1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine?
The InChIKey is HRYFBGMNQKHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-7-16-13-5-8-17(11-13)14-3-4-15-12(10-14)6-9-18-15/h3-4,6,9-10,13,16H,2,5,7-8,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine?
1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine has a molecular weight of 260.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 65474122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).