2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine

C11H13NS2 — CID 117176418

IUPAC2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine
SMILESCCSCc1cc2cc(N)ccc2s1
InChIInChI=1S/C11H13NS2/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10/h3-6H,2,7,12H2,1H3
InChIKeyNHIUZZPXAIAAKP-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.74
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine

2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine (PubChem CID 117176418) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine
PubChem CID117176418
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine
SMILESCCSCc1cc2cc(N)ccc2s1
InChIInChI=1S/C11H13NS2/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10/h3-6H,2,7,12H2,1H3
InChIKeyNHIUZZPXAIAAKP-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylsulfanylmethyl)-1-benzothiophen-5-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

2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
CID 117176433
2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185902
1-benzothiophene-2,5-diamine
CID 89101949
2-N,2-N-diethyl-1-benzothiophene-2,5-diamine
CID 83917658
5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
CID 58689208
2-(ethylsulfanylmethyl)-1,1-dioxo-1-benzothiophen-5-amine
CID 117176195
2-ethoxyethyl 5-amino-1-benzothiophene-2-carboxylate
CID 61308109
ethyl 2-[(5-hydroxy-1-benzothiophen-2-yl)methylsulfanyl]-2-methylpropanoate
CID 68831548
1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
CID 82662571
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
5-amino-1-benzothiophene-2-carbonyl chloride
CID 18523489

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine (CID 117176418) is 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine is CCSCc1cc2cc(N)ccc2s1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine?
The InChIKey is NHIUZZPXAIAAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10/h3-6H,2,7,12H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine?
2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine has a molecular weight of 223.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 117176418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).