[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

C14H22N2OS2 — CID 103420433

IUPAC[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCCCCN(C)c1sc(C(=O)C2CC2)c(N)c1SC
InChIInChI=1S/C14H22N2OS2/c1-4-5-8-16(2)14-13(18-3)10(15)12(19-14)11(17)9-6-7-9/h9H,4-8,15H2,1-3H3
InChIKeyQJAQHTZBFNCZKX-UHFFFAOYSA-N
MW298.48 g/mol
LogP3.88
Rot. Bonds7

About [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103420433) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103420433
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC Name[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCCCCN(C)c1sc(C(=O)C2CC2)c(N)c1SC
InChIInChI=1S/C14H22N2OS2/c1-4-5-8-16(2)14-13(18-3)10(15)12(19-14)11(17)9-6-7-9/h9H,4-8,15H2,1-3H3
InChIKeyQJAQHTZBFNCZKX-UHFFFAOYSA-N
XLogP3.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103422266
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420432
3-amino-5-[butyl(methyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420353
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189
[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103420542
3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420340
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103420397
[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103420887
ethyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103417825

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (CID 103420433) is [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is CCCCN(C)c1sc(C(=O)C2CC2)c(N)c1SC.
What is the InChIKey of [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is QJAQHTZBFNCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-4-5-8-16(2)14-13(18-3)10(15)12(19-14)11(17)9-6-7-9/h9H,4-8,15H2,1-3H3.
What are the key properties of [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 298.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103420433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).