N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine

C15H20N2S — CID 65475667

IUPACN-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
SMILESc1cc2cc(NCCCN3CCCC3)ccc2s1
InChIInChI=1S/C15H20N2S/c1-2-9-17(8-1)10-3-7-16-14-4-5-15-13(12-14)6-11-18-15/h4-6,11-12,16H,1-3,7-10H2
InChIKeyFVXOAUHTVRRZRX-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.80
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine

N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine (PubChem CID 65475667) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
PubChem CID65475667
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
SMILESc1cc2cc(NCCCN3CCCC3)ccc2s1
InChIInChI=1S/C15H20N2S/c1-2-9-17(8-1)10-3-7-16-14-4-5-15-13(12-14)6-11-18-15/h4-6,11-12,16H,1-3,7-10H2
InChIKeyFVXOAUHTVRRZRX-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine (CID 65475667) is N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine is c1cc2cc(NCCCN3CCCC3)ccc2s1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine?
The InChIKey is FVXOAUHTVRRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-9-17(8-1)10-3-7-16-14-4-5-15-13(12-14)6-11-18-15/h4-6,11-12,16H,1-3,7-10H2.
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine?
N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine has a molecular weight of 260.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 65475667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).