3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile

C11H17N3S2 — CID 103420340

IUPAC3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCCCN(C)c1sc(C#N)c(N)c1SC
InChIInChI=1S/C11H17N3S2/c1-4-5-6-14(2)11-10(15-3)9(13)8(7-12)16-11/h4-6,13H2,1-3H3
InChIKeySVAFAFZBERNDAF-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.16
Rot. Bonds5

About 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile

3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile (PubChem CID 103420340) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
PubChem CID103420340
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCCCN(C)c1sc(C#N)c(N)c1SC
InChIInChI=1S/C11H17N3S2/c1-4-5-6-14(2)11-10(15-3)9(13)8(7-12)16-11/h4-6,13H2,1-3H3
InChIKeySVAFAFZBERNDAF-UHFFFAOYSA-N
XLogP3.16
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420862
3-amino-5-[butyl(methyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420353
3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103418165
[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103420433
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420432
4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide
CID 103420460
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103420922
ethyl 3-amino-5-[butyl(methyl)amino]-4-cyanothiophene-2-carboxylate
CID 103420407
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189
3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile
CID 103418714

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile (CID 103420340) is 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile is CCCCN(C)c1sc(C#N)c(N)c1SC.
What is the InChIKey of 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
The InChIKey is SVAFAFZBERNDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-4-5-6-14(2)11-10(15-3)9(13)8(7-12)16-11/h4-6,13H2,1-3H3.
What are the key properties of 3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile has a molecular weight of 255.41 g/mol, XLogP of 3.16, 5 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-methylsulfanylthiophene-2-carbonitrile is sourced from PubChem (CID 103420340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).