1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one

C15H26N2O2S — CID 103420387

IUPAC1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
SMILESCCCCN(C)c1sc(C(=O)CC)c(N)c1OC(C)C
InChIInChI=1S/C15H26N2O2S/c1-6-8-9-17(5)15-13(19-10(3)4)12(16)14(20-15)11(18)7-2/h10H,6-9,16H2,1-5H3
InChIKeyILNVNUKTAQOPMX-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.95
Rot. Bonds8

About 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one

1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one (PubChem CID 103420387) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
PubChem CID103420387
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
SMILESCCCCN(C)c1sc(C(=O)CC)c(N)c1OC(C)C
InChIInChI=1S/C15H26N2O2S/c1-6-8-9-17(5)15-13(19-10(3)4)12(16)14(20-15)11(18)7-2/h10H,6-9,16H2,1-5H3
InChIKeyILNVNUKTAQOPMX-UHFFFAOYSA-N
XLogP3.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one (CID 103420387) is 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one is CCCCN(C)c1sc(C(=O)CC)c(N)c1OC(C)C.
What is the InChIKey of 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one?
The InChIKey is ILNVNUKTAQOPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-8-9-17(5)15-13(19-10(3)4)12(16)14(20-15)11(18)7-2/h10H,6-9,16H2,1-5H3.
What are the key properties of 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one?
1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one has a molecular weight of 298.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one is sourced from PubChem (CID 103420387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).