2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile

C9H12N2OS — CID 55269031

IUPAC2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile
SMILESCOCC(N)c1csc(CC#N)c1
InChIInChI=1S/C9H12N2OS/c1-12-5-9(11)7-4-8(2-3-10)13-6-7/h4,6,9H,2,5,11H2,1H3
InChIKeyPHRYIKDEZMFBNP-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile

2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile (PubChem CID 55269031) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile
PubChem CID55269031
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile
SMILESCOCC(N)c1csc(CC#N)c1
InChIInChI=1S/C9H12N2OS/c1-12-5-9(11)7-4-8(2-3-10)13-6-7/h4,6,9H,2,5,11H2,1H3
InChIKeyPHRYIKDEZMFBNP-UHFFFAOYSA-N
XLogP1.46
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile?
The IUPAC name of 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile (CID 55269031) is 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile is COCC(N)c1csc(CC#N)c1.
What is the InChIKey of 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile?
The InChIKey is PHRYIKDEZMFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-12-5-9(11)7-4-8(2-3-10)13-6-7/h4,6,9H,2,5,11H2,1H3.
What are the key properties of 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile?
2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile has a molecular weight of 196.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methoxyethyl)thiophen-2-yl]acetonitrile is sourced from PubChem (CID 55269031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).