ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate

C14H23N3O3S — CID 103424394

IUPACethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NCCN(C)C)sc(C(=O)CC)c1N
InChIInChI=1S/C14H23N3O3S/c1-5-9(18)12-11(15)10(14(19)20-6-2)13(21-12)16-7-8-17(3)4/h16H,5-8,15H2,1-4H3
InChIKeyLEYGRMVCQGSHFG-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.07
Rot. Bonds8

About ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate

ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate (PubChem CID 103424394) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate
PubChem CID103424394
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nameethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NCCN(C)C)sc(C(=O)CC)c1N
InChIInChI=1S/C14H23N3O3S/c1-5-9(18)12-11(15)10(14(19)20-6-2)13(21-12)16-7-8-17(3)4/h16H,5-8,15H2,1-4H3
InChIKeyLEYGRMVCQGSHFG-UHFFFAOYSA-N
XLogP2.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-O-ethyl 2-O-methyl 3-amino-5-[2-(dimethylamino)ethylamino]thiophene-2,4-dicarboxylate
CID 103424347
ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate
CID 103423873
methyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-(dimethylcarbamoyl)thiophene-3-carboxylate
CID 103424361
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350
1-[3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424294
methyl 4-amino-5-(cyclopropanecarbonyl)-2-[2-(dimethylamino)ethylamino]thiophene-3-carboxylate
CID 103424345
ethyl 4-amino-2-(pentan-3-ylamino)-5-propanoylthiophene-3-carboxylate
CID 103424125
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103421370
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
methyl 4-amino-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxylate
CID 103510086

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate (CID 103424394) is ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate is CCOC(=O)c1c(NCCN(C)C)sc(C(=O)CC)c1N.
What is the InChIKey of ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate?
The InChIKey is LEYGRMVCQGSHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-9(18)12-11(15)10(14(19)20-6-2)13(21-12)16-7-8-17(3)4/h16H,5-8,15H2,1-4H3.
What are the key properties of ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate?
ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate has a molecular weight of 313.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate is sourced from PubChem (CID 103424394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).