2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone

C13H22N2OS — CID 55225801

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(C)CCN(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-5-11-6-7-13(17-11)12(16)10-15(4)9-8-14(2)3/h6-7H,5,8-10H2,1-4H3
InChIKeyGXMAXGSJSVKIEX-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone

2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 55225801) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID55225801
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(C)CCN(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-5-11-6-7-13(17-11)12(16)10-15(4)9-8-14(2)3/h6-7H,5,8-10H2,1-4H3
InChIKeyGXMAXGSJSVKIEX-UHFFFAOYSA-N
XLogP1.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone 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

1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051366
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950449
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036144
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide
CID 62051723
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone (CID 55225801) is 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN(C)CCN(C)C)s1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is GXMAXGSJSVKIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-11-6-7-13(17-11)12(16)10-15(4)9-8-14(2)3/h6-7H,5,8-10H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 254.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 55225801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).