2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile

C13H18N2OS — CID 55062169

IUPAC2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
SMILESCCc1ccc(C(C#N)NCC2CCCO2)s1
InChIInChI=1S/C13H18N2OS/c1-2-11-5-6-13(17-11)12(8-14)15-9-10-4-3-7-16-10/h5-6,10,12,15H,2-4,7,9H2,1H3
InChIKeyPWLRFEZPKRCFIA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile

2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile (PubChem CID 55062169) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
PubChem CID55062169
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
SMILESCCc1ccc(C(C#N)NCC2CCCO2)s1
InChIInChI=1S/C13H18N2OS/c1-2-11-5-6-13(17-11)12(8-14)15-9-10-4-3-7-16-10/h5-6,10,12,15H,2-4,7,9H2,1H3
InChIKeyPWLRFEZPKRCFIA-UHFFFAOYSA-N
XLogP2.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 62345929
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanol
CID 65149785
2-(3,4-dihydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 54887336
3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
CID 61317504
2-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61006052
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile (CID 55062169) is 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile is CCc1ccc(C(C#N)NCC2CCCO2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The InChIKey is PWLRFEZPKRCFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-11-5-6-13(17-11)12(8-14)15-9-10-4-3-7-16-10/h5-6,10,12,15H,2-4,7,9H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile has a molecular weight of 250.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 55062169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).