5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile

C10H12N2OS — CID 130695759

IUPAC5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1ccc(NCC2CCCO2)s1
InChIInChI=1S/C10H12N2OS/c11-6-9-3-4-10(14-9)12-7-8-2-1-5-13-8/h3-4,8,12H,1-2,5,7H2
InChIKeySCASMIUUEOGFSA-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.21
Rot. Bonds3

About 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile

5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile (PubChem CID 130695759) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile
PubChem CID130695759
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1ccc(NCC2CCCO2)s1
InChIInChI=1S/C10H12N2OS/c11-6-9-3-4-10(14-9)12-7-8-2-1-5-13-8/h3-4,8,12H,1-2,5,7H2
InChIKeySCASMIUUEOGFSA-UHFFFAOYSA-N
XLogP2.21
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
2-bromo-3-fluoro-4-(oxolan-2-ylmethylamino)benzonitrile
CID 107533130
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462550
4-methyl-2-(oxan-2-ylmethylamino)benzonitrile
CID 62307968
2-methyl-6-(oxan-2-ylmethylamino)benzonitrile
CID 114003060
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808
2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile
CID 114994373

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile?
The IUPAC name of 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile (CID 130695759) is 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile is N#Cc1ccc(NCC2CCCO2)s1.
What is the InChIKey of 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile?
The InChIKey is SCASMIUUEOGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-6-9-3-4-10(14-9)12-7-8-2-1-5-13-8/h3-4,8,12H,1-2,5,7H2.
What are the key properties of 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile?
5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 130695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).