ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate

C15H24N2O3S — CID 103509602

IUPACethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N(C)CC2CC2)c(OC(C)C)c1N
InChIInChI=1S/C15H24N2O3S/c1-5-19-15(18)13-11(16)12(20-9(2)3)14(21-13)17(4)8-10-6-7-10/h9-10H,5-8,16H2,1-4H3
InChIKeyMOSTZQUTEKIDLV-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.14
Rot. Bonds7

About ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate

ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate (PubChem CID 103509602) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
PubChem CID103509602
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nameethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N(C)CC2CC2)c(OC(C)C)c1N
InChIInChI=1S/C15H24N2O3S/c1-5-19-15(18)13-11(16)12(20-9(2)3)14(21-13)17(4)8-10-6-7-10/h9-10H,5-8,16H2,1-4H3
InChIKeyMOSTZQUTEKIDLV-UHFFFAOYSA-N
XLogP3.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422148
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103421473
3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421206
3-amino-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421207
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103509520

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate (CID 103509602) is ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate is CCOC(=O)c1sc(N(C)CC2CC2)c(OC(C)C)c1N.
What is the InChIKey of ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
The InChIKey is MOSTZQUTEKIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-19-15(18)13-11(16)12(20-9(2)3)14(21-13)17(4)8-10-6-7-10/h9-10H,5-8,16H2,1-4H3.
What are the key properties of ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate is sourced from PubChem (CID 103509602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).