3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile

C12H15N5S — CID 103421966

IUPAC3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
SMILESCN(C)C1CCN(c2sc(C#N)c(N)c2C#N)C1
InChIInChI=1S/C12H15N5S/c1-16(2)8-3-4-17(7-8)12-9(5-13)11(15)10(6-14)18-12/h8H,3-4,7,15H2,1-2H3
InChIKeyDOGYQWORRAYKAY-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.21
Rot. Bonds2

About 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile

3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile (PubChem CID 103421966) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
PubChem CID103421966
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
SMILESCN(C)C1CCN(c2sc(C#N)c(N)c2C#N)C1
InChIInChI=1S/C12H15N5S/c1-16(2)8-3-4-17(7-8)12-9(5-13)11(15)10(6-14)18-12/h8H,3-4,7,15H2,1-2H3
InChIKeyDOGYQWORRAYKAY-UHFFFAOYSA-N
XLogP1.21
TPSA80.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile (CID 103421966) is 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile is CN(C)C1CCN(c2sc(C#N)c(N)c2C#N)C1.
What is the InChIKey of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile?
The InChIKey is DOGYQWORRAYKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-16(2)8-3-4-17(7-8)12-9(5-13)11(15)10(6-14)18-12/h8H,3-4,7,15H2,1-2H3.
What are the key properties of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile?
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile has a molecular weight of 261.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103421966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).