5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile

C11H16N2S2 — CID 115673680

IUPAC5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile
SMILESCSC(C)(C)CNCc1cc(C#N)cs1
InChIInChI=1S/C11H16N2S2/c1-11(2,14-3)8-13-6-10-4-9(5-12)7-15-10/h4,7,13H,6,8H2,1-3H3
InChIKeyUCBWIGMWWQRDOF-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.85
Rot. Bonds5

About 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile

5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 115673680) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID115673680
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile
SMILESCSC(C)(C)CNCc1cc(C#N)cs1
InChIInChI=1S/C11H16N2S2/c1-11(2,14-3)8-13-6-10-4-9(5-12)7-15-10/h4,7,13H,6,8H2,1-3H3
InChIKeyUCBWIGMWWQRDOF-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylpentan-3-ylamino)methyl]thiophene-3-carbonitrile
CID 115673653
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carbonitrile
CID 79553786
5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
CID 115405928
5-[(hexylamino)methyl]thiophene-3-carbonitrile
CID 79545786
5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79614229
5-[(2-methylsulfanylanilino)methyl]thiophene-3-carbonitrile
CID 79614263
5-[(3-hydroxybutylamino)methyl]thiophene-3-carbonitrile
CID 79553008
5-[(2-methylsulfonylethylamino)methyl]thiophene-3-carbonitrile
CID 79553701
5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile
CID 103735904
5-[(2-ethylsulfonylethylamino)methyl]thiophene-3-carbonitrile
CID 115673632
5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79552994

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile (CID 115673680) is 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile is CSC(C)(C)CNCc1cc(C#N)cs1.
What is the InChIKey of 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is UCBWIGMWWQRDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-11(2,14-3)8-13-6-10-4-9(5-12)7-15-10/h4,7,13H,6,8H2,1-3H3.
What are the key properties of 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 240.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115673680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).