5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile

C12H16N2S — CID 103735904

IUPAC5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCC1(CNCc2cc(C#N)cs2)CCC1
InChIInChI=1S/C12H16N2S/c1-12(3-2-4-12)9-14-7-11-5-10(6-13)8-15-11/h5,8,14H,2-4,7,9H2,1H3
InChIKeyVQTUXFPEGDDEAH-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.90
Rot. Bonds4

About 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile

5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile (PubChem CID 103735904) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile
PubChem CID103735904
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCC1(CNCc2cc(C#N)cs2)CCC1
InChIInChI=1S/C12H16N2S/c1-12(3-2-4-12)9-14-7-11-5-10(6-13)8-15-11/h5,8,14H,2-4,7,9H2,1H3
InChIKeyVQTUXFPEGDDEAH-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile
CID 115673657
5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79614229
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carbonitrile
CID 79553786
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
N-[2-[(4-cyanothiophen-2-yl)methylamino]ethyl]methanesulfonamide
CID 79553000
3-methyl-4-[[(1-methylcyclobutyl)methylamino]methyl]benzonitrile
CID 114107870
5-[[[1-(2-hydroxyethyl)cyclobutyl]amino]methyl]thiophene-3-carbonitrile;hydrochloride
CID 115673980
5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
CID 115405928
5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile
CID 115763203
5-[(hexylamino)methyl]thiophene-3-carbonitrile
CID 79545786
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553621
5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
CID 79544754

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile (CID 103735904) is 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile is CC1(CNCc2cc(C#N)cs2)CCC1.
What is the InChIKey of 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is VQTUXFPEGDDEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(3-2-4-12)9-14-7-11-5-10(6-13)8-15-11/h5,8,14H,2-4,7,9H2,1H3.
What are the key properties of 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile?
5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 103735904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).