5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile

C13H14N4S2 — CID 159467647

IUPAC5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
SMILESCNCc1ccc(C#N)s1.N#Cc1ccc(CN)s1
InChIInChI=1S/C7H8N2S.C6H6N2S/c1-9-5-7-3-2-6(4-8)10-7;7-3-5-1-2-6(4-8)9-5/h2-3,9H,5H2,1H3;1-2H,3,7H2
InChIKeyLVJVYRZGVASGOF-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.42
Rot. Bonds3

About 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile

5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile (PubChem CID 159467647) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
PubChem CID159467647
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
SMILESCNCc1ccc(C#N)s1.N#Cc1ccc(CN)s1
InChIInChI=1S/C7H8N2S.C6H6N2S/c1-9-5-7-3-2-6(4-8)10-7;7-3-5-1-2-6(4-8)9-5/h2-3,9H,5H2,1H3;1-2H,3,7H2
InChIKeyLVJVYRZGVASGOF-UHFFFAOYSA-N
XLogP2.42
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103735569
5-[(pentylamino)methyl]thiophene-2-carbonitrile
CID 115675351
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
5-[[(4-methylphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675383
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675851
5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
CID 113250034
5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile
CID 115675598
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
5-[[[(E)-pent-3-enyl]amino]methyl]thiophene-2-carbonitrile
CID 115675888
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile (CID 159467647) is 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile is CNCc1ccc(C#N)s1.N#Cc1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
The InChIKey is LVJVYRZGVASGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.C6H6N2S/c1-9-5-7-3-2-6(4-8)10-7;7-3-5-1-2-6(4-8)9-5/h2-3,9H,5H2,1H3;1-2H,3,7H2.
What are the key properties of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile has a molecular weight of 290.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 159467647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).