3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine

C15H19NS — CID 79451537

IUPAC3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
SMILESCCCC1(Cc2csc3ccccc23)CNC1
InChIInChI=1S/C15H19NS/c1-2-7-15(10-16-11-15)8-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,16H,2,7-8,10-11H2,1H3
InChIKeyIAHSYTPNVPQCAE-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.83
Rot. Bonds4

About 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine

3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine (PubChem CID 79451537) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
PubChem CID79451537
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
SMILESCCCC1(Cc2csc3ccccc23)CNC1
InChIInChI=1S/C15H19NS/c1-2-7-15(10-16-11-15)8-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,16H,2,7-8,10-11H2,1H3
InChIKeyIAHSYTPNVPQCAE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
CID 66465792
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 64840548
3-benzyl-3-butylazetidine
CID 79451820
1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 64838953
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79834589
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine?
The IUPAC name of 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine (CID 79451537) is 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine is CCCC1(Cc2csc3ccccc23)CNC1.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine?
The InChIKey is IAHSYTPNVPQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-7-15(10-16-11-15)8-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,16H,2,7-8,10-11H2,1H3.
What are the key properties of 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine?
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine has a molecular weight of 245.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine is sourced from PubChem (CID 79451537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).