[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone

C15H24N2O2S — CID 103420542

IUPAC[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCCCCN(CC)c1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C15H24N2O2S/c1-4-6-9-17(5-2)15-13(19-3)11(16)14(20-15)12(18)10-7-8-10/h10H,4-9,16H2,1-3H3
InChIKeyKCRUIUWXWNXLJL-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.56
Rot. Bonds8

About [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103420542) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103420542
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCCCCN(CC)c1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C15H24N2O2S/c1-4-6-9-17(5-2)15-13(19-3)11(16)14(20-15)12(18)10-7-8-10/h10H,4-9,16H2,1-3H3
InChIKeyKCRUIUWXWNXLJL-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone (CID 103420542) is [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone is CCCCN(CC)c1sc(C(=O)C2CC2)c(N)c1OC.
What is the InChIKey of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is KCRUIUWXWNXLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-6-9-17(5-2)15-13(19-3)11(16)14(20-15)12(18)10-7-8-10/h10H,4-9,16H2,1-3H3.
What are the key properties of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 296.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103420542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).