ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate

C16H24N2O2S — CID 103418809

IUPACethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N2CCC(C)CC2)c(C2CC2)c1N
InChIInChI=1S/C16H24N2O2S/c1-3-20-16(19)14-13(17)12(11-4-5-11)15(21-14)18-8-6-10(2)7-9-18/h10-11H,3-9,17H2,1-2H3
InChIKeyYGBWGNGOJRXWAO-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.62
Rot. Bonds4

About ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate

ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate (PubChem CID 103418809) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
PubChem CID103418809
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nameethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N2CCC(C)CC2)c(C2CC2)c1N
InChIInChI=1S/C16H24N2O2S/c1-3-20-16(19)14-13(17)12(11-4-5-11)15(21-14)18-8-6-10(2)7-9-18/h10-11H,3-9,17H2,1-2H3
InChIKeyYGBWGNGOJRXWAO-UHFFFAOYSA-N
XLogP3.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103419510
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate (CID 103418809) is ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate is CCOC(=O)c1sc(N2CCC(C)CC2)c(C2CC2)c1N.
What is the InChIKey of ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate?
The InChIKey is YGBWGNGOJRXWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-20-16(19)14-13(17)12(11-4-5-11)15(21-14)18-8-6-10(2)7-9-18/h10-11H,3-9,17H2,1-2H3.
What are the key properties of ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate?
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 103418809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).