dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate

C13H18N2O4S — CID 103427567

IUPACdimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(C)C2CC2)c(C(=O)OC)c1N
InChIInChI=1S/C13H18N2O4S/c1-6(7-4-5-7)15-11-8(12(16)18-2)9(14)10(20-11)13(17)19-3/h6-7,15H,4-5,14H2,1-3H3
InChIKeyFKKCSXCQNBRBPF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.11
Rot. Bonds5

About dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate

dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate (PubChem CID 103427567) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
PubChem CID103427567
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namedimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(C)C2CC2)c(C(=O)OC)c1N
InChIInChI=1S/C13H18N2O4S/c1-6(7-4-5-7)15-11-8(12(16)18-2)9(14)10(20-11)13(17)19-3/h6-7,15H,4-5,14H2,1-3H3
InChIKeyFKKCSXCQNBRBPF-UHFFFAOYSA-N
XLogP2.11
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-acetyl-4-amino-2-(1-cyclopropylethylamino)thiophene-3-carboxylate
CID 103427566
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
methyl 5-acetyl-4-amino-2-(dicyclopropylmethylamino)thiophene-3-carboxylate
CID 103508542
methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
CID 103508521
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
ethyl 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427575
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103427588
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103427603
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423779
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate (CID 103427567) is dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(C)C2CC2)c(C(=O)OC)c1N.
What is the InChIKey of dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate?
The InChIKey is FKKCSXCQNBRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-6(7-4-5-7)15-11-8(12(16)18-2)9(14)10(20-11)13(17)19-3/h6-7,15H,4-5,14H2,1-3H3.
What are the key properties of dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate has a molecular weight of 298.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 103427567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).