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

C14H24N2O3S — CID 103421004

IUPACmethyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
SMILESCCCN(CC)c1sc(C(=O)OC)c(N)c1OC(C)C
InChIInChI=1S/C14H24N2O3S/c1-6-8-16(7-2)13-11(19-9(3)4)10(15)12(20-13)14(17)18-5/h9H,6-8,15H2,1-5H3
InChIKeyIIFOIOYZSBGEQT-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.14
Rot. Bonds7

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

methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate (PubChem CID 103421004) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
PubChem CID103421004
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Namemethyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
SMILESCCCN(CC)c1sc(C(=O)OC)c(N)c1OC(C)C
InChIInChI=1S/C14H24N2O3S/c1-6-8-16(7-2)13-11(19-9(3)4)10(15)12(20-13)14(17)18-5/h9H,6-8,15H2,1-5H3
InChIKeyIIFOIOYZSBGEQT-UHFFFAOYSA-N
XLogP3.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate (CID 103421004) is methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate is CCCN(CC)c1sc(C(=O)OC)c(N)c1OC(C)C.
What is the InChIKey of methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
The InChIKey is IIFOIOYZSBGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-6-8-16(7-2)13-11(19-9(3)4)10(15)12(20-13)14(17)18-5/h9H,6-8,15H2,1-5H3.
What are the key properties of methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate?
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate has a molecular weight of 300.42 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 methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate is sourced from PubChem (CID 103421004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).