1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone

C15H24N2O2S — CID 103422418

IUPAC1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCCN(CC1CC1)c1sc(C(C)=O)c(N)c1OC(C)C
InChIInChI=1S/C15H24N2O2S/c1-5-17(8-11-6-7-11)15-13(19-9(2)3)12(16)14(20-15)10(4)18/h9,11H,5-8,16H2,1-4H3
InChIKeyDNGPBQCIMTUIAI-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.56
Rot. Bonds7

About 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone

1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone (PubChem CID 103422418) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
PubChem CID103422418
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCCN(CC1CC1)c1sc(C(C)=O)c(N)c1OC(C)C
InChIInChI=1S/C15H24N2O2S/c1-5-17(8-11-6-7-11)15-13(19-9(2)3)12(16)14(20-15)10(4)18/h9,11H,5-8,16H2,1-4H3
InChIKeyDNGPBQCIMTUIAI-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone (CID 103422418) is 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone is CCN(CC1CC1)c1sc(C(C)=O)c(N)c1OC(C)C.
What is the InChIKey of 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
The InChIKey is DNGPBQCIMTUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-17(8-11-6-7-11)15-13(19-9(2)3)12(16)14(20-15)10(4)18/h9,11H,5-8,16H2,1-4H3.
What are the key properties of 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone has a molecular weight of 296.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone is sourced from PubChem (CID 103422418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).