ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate

C15H25N3O2S — CID 103506893

IUPACethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCC(C)N(C)C)c(C2CC2)c1N
InChIInChI=1S/C15H25N3O2S/c1-5-20-15(19)13-12(16)11(10-6-7-10)14(21-13)17-8-9(2)18(3)4/h9-10,17H,5-8,16H2,1-4H3
InChIKeyUOMUTTVHOQMDFN-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.75
Rot. Bonds7

About ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate

ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate (PubChem CID 103506893) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
PubChem CID103506893
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCC(C)N(C)C)c(C2CC2)c1N
InChIInChI=1S/C15H25N3O2S/c1-5-20-15(19)13-12(16)11(10-6-7-10)14(21-13)17-8-9(2)18(3)4/h9-10,17H,5-8,16H2,1-4H3
InChIKeyUOMUTTVHOQMDFN-UHFFFAOYSA-N
XLogP2.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
ethyl 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427575
ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425371
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
methyl 3-amino-4-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103426194
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
methyl 3-amino-4-cyclopropyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420077
1-[3-amino-4-cyclopropyl-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425616
3-amino-4-cyclopropyl-5-[2-(diethylamino)ethylamino]thiophene-2-carboxamide
CID 103424766
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103418809
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate (CID 103506893) is ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(NCC(C)N(C)C)c(C2CC2)c1N.
What is the InChIKey of ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate?
The InChIKey is UOMUTTVHOQMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-20-15(19)13-12(16)11(10-6-7-10)14(21-13)17-8-9(2)18(3)4/h9-10,17H,5-8,16H2,1-4H3.
What are the key properties of ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate?
ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103506893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).