2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate

C13H21N3O2S — CID 82892123

IUPAC2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCN2CCN(C)CC2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-10-11(14)9-12(19-10)13(17)18-8-7-16-5-3-15(2)4-6-16/h9H,3-8,14H2,1-2H3
InChIKeyMVGGDQCVSVEKLK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate

2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 82892123) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID82892123
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCN2CCN(C)CC2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-10-11(14)9-12(19-10)13(17)18-8-7-16-5-3-15(2)4-6-16/h9H,3-8,14H2,1-2H3
InChIKeyMVGGDQCVSVEKLK-UHFFFAOYSA-N
XLogP1.04
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316008
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
2-(4-methylpiperazin-1-yl)ethyl 3-amino-4-methylbenzoate
CID 82891746
2-(4-methylpiperazin-1-yl)ethyl 2,4-diaminobenzoate
CID 82891589
cyanomethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316963
3-(4-amino-5-methylthiophene-2-carbonyl)oxy-2,2-dimethylpropanoic acid
CID 79620176
2-(4-methylpiperazin-1-yl)ethyl 5-amino-2-fluorobenzoate
CID 82891975
2-(4-methylpiperazin-1-yl)ethyl 3-amino-2-chlorobenzoate
CID 115936102
2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 114173699
pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 55108746

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate (CID 82892123) is 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCCN2CCN(C)CC2)cc1N.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is MVGGDQCVSVEKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-11(14)9-12(19-10)13(17)18-8-7-16-5-3-15(2)4-6-16/h9H,3-8,14H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate?
2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 82892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).