N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine

C15H19NOS — CID 60762532

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1csc2ccccc12)C1CCCO1
InChIInChI=1S/C15H19NOS/c1-11(14-6-4-8-17-14)16-9-12-10-18-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,16H,4,6,8-9H2,1H3
InChIKeyVCXKWMSPTAVZIJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.56
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine

N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 60762532) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID60762532
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1csc2ccccc12)C1CCCO1
InChIInChI=1S/C15H19NOS/c1-11(14-6-4-8-17-14)16-9-12-10-18-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,16H,4,6,8-9H2,1H3
InChIKeyVCXKWMSPTAVZIJ-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine (CID 60762532) is N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine is CC(NCc1csc2ccccc12)C1CCCO1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is VCXKWMSPTAVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11(14-6-4-8-17-14)16-9-12-10-18-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,16H,4,6,8-9H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 60762532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).