2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile

C10H14N2OS — CID 47034633

IUPAC2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile
SMILESCOCCN(CC#N)Cc1cccs1
InChIInChI=1S/C10H14N2OS/c1-13-7-6-12(5-4-11)9-10-3-2-8-14-10/h2-3,8H,5-7,9H2,1H3
InChIKeyYWZPSKQQEASSQG-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile

2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile (PubChem CID 47034633) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile
PubChem CID47034633
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile
SMILESCOCCN(CC#N)Cc1cccs1
InChIInChI=1S/C10H14N2OS/c1-13-7-6-12(5-4-11)9-10-3-2-8-14-10/h2-3,8H,5-7,9H2,1H3
InChIKeyYWZPSKQQEASSQG-UHFFFAOYSA-N
XLogP1.72
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile (CID 47034633) is 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile is COCCN(CC#N)Cc1cccs1.
What is the InChIKey of 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile?
The InChIKey is YWZPSKQQEASSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-13-7-6-12(5-4-11)9-10-3-2-8-14-10/h2-3,8H,5-7,9H2,1H3.
What are the key properties of 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile?
2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile has a molecular weight of 210.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 47034633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).