3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile

C11H12N4S — CID 103509706

IUPAC3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
SMILESCC1CCN(c2sc(C#N)c(N)c2C#N)C1
InChIInChI=1S/C11H12N4S/c1-7-2-3-15(6-7)11-8(4-12)10(14)9(5-13)16-11/h7H,2-3,6,14H2,1H3
InChIKeyXWAOMJKBIBNKRS-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.92
Rot. Bonds1

About 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile

3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile (PubChem CID 103509706) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
PubChem CID103509706
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
SMILESCC1CCN(c2sc(C#N)c(N)c2C#N)C1
InChIInChI=1S/C11H12N4S/c1-7-2-3-15(6-7)11-8(4-12)10(14)9(5-13)16-11/h7H,2-3,6,14H2,1H3
InChIKeyXWAOMJKBIBNKRS-UHFFFAOYSA-N
XLogP1.92
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103418511
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506256
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506699
3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
CID 103509759
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 106840057
3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
CID 102162761
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarbonitrile
CID 103418394
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile (CID 103509706) is 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile is CC1CCN(c2sc(C#N)c(N)c2C#N)C1.
What is the InChIKey of 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
The InChIKey is XWAOMJKBIBNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-2-3-15(6-7)11-8(4-12)10(14)9(5-13)16-11/h7H,2-3,6,14H2,1H3.
What are the key properties of 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile has a molecular weight of 232.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103509706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).