2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine

C16H19NS2 — CID 55092488

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCSc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H19NS2/c1-3-13-6-7-15(11-14(13)4-1)19-10-8-17-12-16-5-2-9-18-16/h2,5-7,9,11,17H,1,3-4,8,10,12H2
InChIKeyGYPGPBQDOPSUPP-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.12
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 55092488) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID55092488
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCSc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H19NS2/c1-3-13-6-7-15(11-14(13)4-1)19-10-8-17-12-16-5-2-9-18-16/h2,5-7,9,11,17H,1,3-4,8,10,12H2
InChIKeyGYPGPBQDOPSUPP-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)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-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 62576543
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 9309169
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62576339
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62583170
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]aniline
CID 63516616
2-bromo-N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]aniline
CID 63516615
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
5-(4-chlorobutylsulfanyl)-2,3-dihydro-1H-indene
CID 63499850
[1-(2,3-dihydro-1H-inden-5-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308909

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine (CID 55092488) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCSc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is GYPGPBQDOPSUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS2/c1-3-13-6-7-15(11-14(13)4-1)19-10-8-17-12-16-5-2-9-18-16/h2,5-7,9,11,17H,1,3-4,8,10,12H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 55092488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).