3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine

C14H17NS — CID 91516670

IUPAC3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine
SMILESNCCC(c1csc2ccccc12)C1CC1
InChIInChI=1S/C14H17NS/c15-8-7-11(10-5-6-10)13-9-16-14-4-2-1-3-12(13)14/h1-4,9-11H,5-8,15H2
InChIKeyZAPDFCPKAQWSPF-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.74
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine

3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine (PubChem CID 91516670) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine
PubChem CID91516670
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine
SMILESNCCC(c1csc2ccccc12)C1CC1
InChIInChI=1S/C14H17NS/c15-8-7-11(10-5-6-10)13-9-16-14-4-2-1-3-12(13)14/h1-4,9-11H,5-8,15H2
InChIKeyZAPDFCPKAQWSPF-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine 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

(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
3-(1-chloro-2-cyclopropylethyl)-1-benzothiophene
CID 63432700
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
CID 62698680
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine (CID 91516670) is 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine is NCCC(c1csc2ccccc12)C1CC1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine?
The InChIKey is ZAPDFCPKAQWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c15-8-7-11(10-5-6-10)13-9-16-14-4-2-1-3-12(13)14/h1-4,9-11H,5-8,15H2.
What are the key properties of 3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine?
3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 3.74, 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-yl)-3-cyclopropylpropan-1-amine is sourced from PubChem (CID 91516670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).