N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide

C10H9N3OS — CID 842500

IUPACN,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
SMILESN#CCN(CC#N)C(=O)Cc1cccs1
InChIInChI=1S/C10H9N3OS/c11-3-5-13(6-4-12)10(14)8-9-2-1-7-15-9/h1-2,7H,5-6,8H2
InChIKeyOTBZKCOQSSYIBD-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.17
Rot. Bonds4

About N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide

N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide (PubChem CID 842500) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
PubChem CID842500
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
SMILESN#CCN(CC#N)C(=O)Cc1cccs1
InChIInChI=1S/C10H9N3OS/c11-3-5-13(6-4-12)10(14)8-9-2-1-7-15-9/h1-2,7H,5-6,8H2
InChIKeyOTBZKCOQSSYIBD-UHFFFAOYSA-N
XLogP1.17
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.17
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 N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide (CID 842500) is N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide is N#CCN(CC#N)C(=O)Cc1cccs1.
What is the InChIKey of N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide?
The InChIKey is OTBZKCOQSSYIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-3-5-13(6-4-12)10(14)8-9-2-1-7-15-9/h1-2,7H,5-6,8H2.
What are the key properties of N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide?
N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide has a molecular weight of 219.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 842500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).