4-(aminomethyl)thiophene-2-carbonitrile

C6H6N2S — CID 11051717

IUPAC4-(aminomethyl)thiophene-2-carbonitrile
SMILESN#Cc1cc(CN)cs1
InChIInChI=1S/C6H6N2S/c7-2-5-1-6(3-8)9-4-5/h1,4H,2,7H2
InChIKeyWELJMDZGAZGMIM-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.08
Rot. Bonds1

About 4-(aminomethyl)thiophene-2-carbonitrile

4-(aminomethyl)thiophene-2-carbonitrile (PubChem CID 11051717) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 4-(aminomethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)thiophene-2-carbonitrile
PubChem CID11051717
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name4-(aminomethyl)thiophene-2-carbonitrile
SMILESN#Cc1cc(CN)cs1
InChIInChI=1S/C6H6N2S/c7-2-5-1-6(3-8)9-4-5/h1,4H,2,7H2
InChIKeyWELJMDZGAZGMIM-UHFFFAOYSA-N
XLogP1.08
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)thiophene-2-carbonitrile?
The IUPAC name of 4-(aminomethyl)thiophene-2-carbonitrile (CID 11051717) is 4-(aminomethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)thiophene-2-carbonitrile?
The canonical SMILES for 4-(aminomethyl)thiophene-2-carbonitrile is N#Cc1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)thiophene-2-carbonitrile?
The InChIKey is WELJMDZGAZGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c7-2-5-1-6(3-8)9-4-5/h1,4H,2,7H2.
What are the key properties of 4-(aminomethyl)thiophene-2-carbonitrile?
4-(aminomethyl)thiophene-2-carbonitrile has a molecular weight of 138.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 11051717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).