3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide

C15H26N2OS — CID 54935862

IUPAC3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C15H26N2OS/c1-6-17(7-2)15(18)8-9-16-12(4)14-10-11(3)19-13(14)5/h10,12,16H,6-9H2,1-5H3
InChIKeyRDMFEMRYSXJFDC-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.27
Rot. Bonds7

About 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide

3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide (PubChem CID 54935862) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide
PubChem CID54935862
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C15H26N2OS/c1-6-17(7-2)15(18)8-9-16-12(4)14-10-11(3)19-13(14)5/h10,12,16H,6-9H2,1-5H3
InChIKeyRDMFEMRYSXJFDC-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide (CID 54935862) is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(C)c1cc(C)sc1C.
What is the InChIKey of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is RDMFEMRYSXJFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-17(7-2)15(18)8-9-16-12(4)14-10-11(3)19-13(14)5/h10,12,16H,6-9H2,1-5H3.
What are the key properties of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide?
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 282.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 54935862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).