1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone

C14H22N2OS — CID 103420397

IUPAC1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
SMILESCCCCN(C)c1sc(C(C)=O)c(N)c1C1CC1
InChIInChI=1S/C14H22N2OS/c1-4-5-8-16(3)14-11(10-6-7-10)12(15)13(18-14)9(2)17/h10H,4-8,15H2,1-3H3
InChIKeyZVGNVKKRWOFURT-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.65
Rot. Bonds6

About 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone

1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone (PubChem CID 103420397) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
PubChem CID103420397
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
SMILESCCCCN(C)c1sc(C(C)=O)c(N)c1C1CC1
InChIInChI=1S/C14H22N2OS/c1-4-5-8-16(3)14-11(10-6-7-10)12(15)13(18-14)9(2)17/h10H,4-8,15H2,1-3H3
InChIKeyZVGNVKKRWOFURT-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone (CID 103420397) is 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone is CCCCN(C)c1sc(C(C)=O)c(N)c1C1CC1.
What is the InChIKey of 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone?
The InChIKey is ZVGNVKKRWOFURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-5-8-16(3)14-11(10-6-7-10)12(15)13(18-14)9(2)17/h10H,4-8,15H2,1-3H3.
What are the key properties of 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone?
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone is sourced from PubChem (CID 103420397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).