2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C15H21NO2S2 — CID 112727524

IUPAC2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCCOC(CNCc1cc(-c2cccs2)cs1)OCC
InChIInChI=1S/C15H21NO2S2/c1-3-17-15(18-4-2)10-16-9-13-8-12(11-20-13)14-6-5-7-19-14/h5-8,11,15-16H,3-4,9-10H2,1-2H3
InChIKeyFVLCTQCMZSMOFQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.97
Rot. Bonds9

About 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 112727524) has the molecular formula C15H21NO2S2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID112727524
Molecular FormulaC15H21NO2S2
Molecular Weight311.47 g/mol
Exact Mass311.10
IUPAC Name2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCCOC(CNCc1cc(-c2cccs2)cs1)OCC
InChIInChI=1S/C15H21NO2S2/c1-3-17-15(18-4-2)10-16-9-13-8-12(11-20-13)14-6-5-7-19-14/h5-8,11,15-16H,3-4,9-10H2,1-2H3
InChIKeyFVLCTQCMZSMOFQ-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 115763952
3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol
CID 103707851
N-[(4-chlorothiophen-2-yl)methyl]-2,2-diethoxyethanamine
CID 79548478
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol
CID 106252309
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 112727524) is 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is CCOC(CNCc1cc(-c2cccs2)cs1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is FVLCTQCMZSMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S2/c1-3-17-15(18-4-2)10-16-9-13-8-12(11-20-13)14-6-5-7-19-14/h5-8,11,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 311.47 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 112727524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).