methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate

C15H24N2O2S — CID 103420777

IUPACmethyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
SMILESCCN(CC(C)C)c1sc(C(=O)OC)c(N)c1C1CC1
InChIInChI=1S/C15H24N2O2S/c1-5-17(8-9(2)3)14-11(10-6-7-10)12(16)13(20-14)15(18)19-4/h9-10H,5-8,16H2,1-4H3
InChIKeyFQFLIJMYAZCAHO-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.48
Rot. Bonds6

About methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate

methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate (PubChem CID 103420777) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
PubChem CID103420777
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
SMILESCCN(CC(C)C)c1sc(C(=O)OC)c(N)c1C1CC1
InChIInChI=1S/C15H24N2O2S/c1-5-17(8-9(2)3)14-11(10-6-7-10)12(16)13(20-14)15(18)19-4/h9-10H,5-8,16H2,1-4H3
InChIKeyFQFLIJMYAZCAHO-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103419964
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
CID 103419941
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
CID 28815553
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate (CID 103420777) is methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate is CCN(CC(C)C)c1sc(C(=O)OC)c(N)c1C1CC1.
What is the InChIKey of methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate?
The InChIKey is FQFLIJMYAZCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-17(8-9(2)3)14-11(10-6-7-10)12(16)13(20-14)15(18)19-4/h9-10H,5-8,16H2,1-4H3.
What are the key properties of methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate?
methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 103420777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).