1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine

C17H26N2S — CID 79315327

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2CSc3ccccc32)C1
InChIInChI=1S/C17H26N2S/c1-3-19(4-2)15-9-10-18(12-15)11-14-13-20-17-8-6-5-7-16(14)17/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyPTBBAUCPLTYUKG-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 79315327) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID79315327
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2CSc3ccccc32)C1
InChIInChI=1S/C17H26N2S/c1-3-19(4-2)15-9-10-18(12-15)11-14-13-20-17-8-6-5-7-16(14)17/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyPTBBAUCPLTYUKG-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine (CID 79315327) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CC2CSc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is PTBBAUCPLTYUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-3-19(4-2)15-9-10-18(12-15)11-14-13-20-17-8-6-5-7-16(14)17/h5-8,14-15H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 290.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 79315327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).