3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine

C14H15NS — CID 65174642

IUPAC3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2csc3ccccc23)CC1
InChIInChI=1S/C14H15NS/c15-12-6-5-10(8-12)7-11-9-16-14-4-2-1-3-13(11)14/h1-4,8-9,12H,5-7,15H2
InChIKeyWTHFMPZOJUWDNX-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.49
Rot. Bonds2

About 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine

3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine (PubChem CID 65174642) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine
PubChem CID65174642
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2csc3ccccc23)CC1
InChIInChI=1S/C14H15NS/c15-12-6-5-10(8-12)7-11-9-16-14-4-2-1-3-13(11)14/h1-4,8-9,12H,5-7,15H2
InChIKeyWTHFMPZOJUWDNX-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine
CID 65174938
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
CID 119080104
CID 119080104
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
2-(1-benzothiophen-3-yl)oxolan-3-amine
CID 79364675
N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
CID 154578112

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine (CID 65174642) is 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine is NC1C=C(Cc2csc3ccccc23)CC1.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine?
The InChIKey is WTHFMPZOJUWDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c15-12-6-5-10(8-12)7-11-9-16-14-4-2-1-3-13(11)14/h1-4,8-9,12H,5-7,15H2.
What are the key properties of 3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine?
3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.49, 2 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)cyclopent-2-en-1-amine is sourced from PubChem (CID 65174642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).