5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile

C11H14N2OS — CID 79553461

IUPAC5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNC2CCOCC2)c1
InChIInChI=1S/C11H14N2OS/c12-6-9-5-11(15-8-9)7-13-10-1-3-14-4-2-10/h5,8,10,13H,1-4,7H2
InChIKeyYFLKIMQXWLCYGA-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.89
Rot. Bonds3

About 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile

5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79553461) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
PubChem CID79553461
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNC2CCOCC2)c1
InChIInChI=1S/C11H14N2OS/c12-6-9-5-11(15-8-9)7-13-10-1-3-14-4-2-10/h5,8,10,13H,1-4,7H2
InChIKeyYFLKIMQXWLCYGA-UHFFFAOYSA-N
XLogP1.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553308
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114543819
5-[[(2,2-diethyloxan-4-yl)amino]methyl]thiophene-3-carbonitrile
CID 82760308
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553787
5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 79545727
5-[[(2-hydroxycycloheptyl)amino]methyl]thiophene-3-carbonitrile
CID 113394650
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]thiophene-3-carbonitrile
CID 79544753
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114121508
5-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophene-3-carbonitrile
CID 115564177

Frequently Asked Questions

What is the IUPAC name of 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile (CID 79553461) is 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNC2CCOCC2)c1.
What is the InChIKey of 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is YFLKIMQXWLCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-6-9-5-11(15-8-9)7-13-10-1-3-14-4-2-10/h5,8,10,13H,1-4,7H2.
What are the key properties of 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile?
5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 222.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79553461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).