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

C13H18N2O4S — CID 103423919

IUPACdimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC2CCCC2)c(C(=O)OC)c1N
InChIInChI=1S/C13H18N2O4S/c1-18-12(16)8-9(14)10(13(17)19-2)20-11(8)15-7-5-3-4-6-7/h7,15H,3-6,14H2,1-2H3
InChIKeyYXRUJDOHLKECAC-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.26
Rot. Bonds4

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

dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate (PubChem CID 103423919) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
PubChem CID103423919
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namedimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC2CCCC2)c(C(=O)OC)c1N
InChIInChI=1S/C13H18N2O4S/c1-18-12(16)8-9(14)10(13(17)19-2)20-11(8)15-7-5-3-4-6-7/h7,15H,3-6,14H2,1-2H3
InChIKeyYXRUJDOHLKECAC-UHFFFAOYSA-N
XLogP2.26
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate 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

methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
CID 103426561
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
4-O-ethyl 2-O-methyl 3-amino-5-(cyclopropylmethylamino)thiophene-2,4-dicarboxylate
CID 103424618

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate (CID 103423919) is dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC2CCCC2)c(C(=O)OC)c1N.
What is the InChIKey of dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate?
The InChIKey is YXRUJDOHLKECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-18-12(16)8-9(14)10(13(17)19-2)20-11(8)15-7-5-3-4-6-7/h7,15H,3-6,14H2,1-2H3.
What are the key properties of dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate has a molecular weight of 298.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 103423919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).