(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride

C13H16ClNS — CID 171224605

IUPAC(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1csc2ccccc12.Cl
InChIInChI=1S/C13H15NS.ClH/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13;/h2,4-6,8-9,12H,1,3,7,14H2;1H/t12-;/m0./s1
InChIKeyYLZGNDGKOIDLSO-YDALLXLXSA-N
MW253.80 g/mol
LogP4.29
Rot. Bonds4

About (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride

(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride (PubChem CID 171224605) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
PubChem CID171224605
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1csc2ccccc12.Cl
InChIInChI=1S/C13H15NS.ClH/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13;/h2,4-6,8-9,12H,1,3,7,14H2;1H/t12-;/m0./s1
InChIKeyYLZGNDGKOIDLSO-YDALLXLXSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride 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

(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(1-benzothiophen-3-yl)oct-7-en-1-ol
CID 107012182
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
CID 171277620
1-(1-benzothiophen-3-yl)but-3-enylhydrazine
CID 105289618

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride (CID 171224605) is (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride is C=CCC[C@H](N)c1csc2ccccc12.Cl.
What is the InChIKey of (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride?
The InChIKey is YLZGNDGKOIDLSO-YDALLXLXSA-N. The full InChI is InChI=1S/C13H15NS.ClH/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13;/h2,4-6,8-9,12H,1,3,7,14H2;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride?
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171224605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).