N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine

C15H22N2S — CID 113474442

IUPACN-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(ccn2CCSCC)c1
InChIInChI=1S/C15H22N2S/c1-3-16-12-13-5-6-15-14(11-13)7-8-17(15)9-10-18-4-2/h5-8,11,16H,3-4,9-10,12H2,1-2H3
InChIKeyWPMHUISZYMRJKA-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.50
Rot. Bonds7

About N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine

N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine (PubChem CID 113474442) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
PubChem CID113474442
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(ccn2CCSCC)c1
InChIInChI=1S/C15H22N2S/c1-3-16-12-13-5-6-15-14(11-13)7-8-17(15)9-10-18-4-2/h5-8,11,16H,3-4,9-10,12H2,1-2H3
InChIKeyWPMHUISZYMRJKA-UHFFFAOYSA-N
XLogP3.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine 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-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
CID 102915998

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine (CID 113474442) is N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine is CCNCc1ccc2c(ccn2CCSCC)c1.
What is the InChIKey of N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine?
The InChIKey is WPMHUISZYMRJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-16-12-13-5-6-15-14(11-13)7-8-17(15)9-10-18-4-2/h5-8,11,16H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine?
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine has a molecular weight of 262.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113474442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).