2-(propylamino)thiophene-3-carbonitrile

C8H10N2S — CID 63091632

IUPAC2-(propylamino)thiophene-3-carbonitrile
SMILESCCCNc1sccc1C#N
InChIInChI=1S/C8H10N2S/c1-2-4-10-8-7(6-9)3-5-11-8/h3,5,10H,2,4H2,1H3
InChIKeyRBSWSJRZTDBHGV-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.44
Rot. Bonds3

About 2-(propylamino)thiophene-3-carbonitrile

2-(propylamino)thiophene-3-carbonitrile (PubChem CID 63091632) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(propylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(propylamino)thiophene-3-carbonitrile
PubChem CID63091632
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-(propylamino)thiophene-3-carbonitrile
SMILESCCCNc1sccc1C#N
InChIInChI=1S/C8H10N2S/c1-2-4-10-8-7(6-9)3-5-11-8/h3,5,10H,2,4H2,1H3
InChIKeyRBSWSJRZTDBHGV-UHFFFAOYSA-N
XLogP2.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)thiophene-3-carbonitrile?
The IUPAC name of 2-(propylamino)thiophene-3-carbonitrile (CID 63091632) is 2-(propylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(propylamino)thiophene-3-carbonitrile?
The canonical SMILES for 2-(propylamino)thiophene-3-carbonitrile is CCCNc1sccc1C#N.
What is the InChIKey of 2-(propylamino)thiophene-3-carbonitrile?
The InChIKey is RBSWSJRZTDBHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-4-10-8-7(6-9)3-5-11-8/h3,5,10H,2,4H2,1H3.
What are the key properties of 2-(propylamino)thiophene-3-carbonitrile?
2-(propylamino)thiophene-3-carbonitrile has a molecular weight of 166.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 63091632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).