N,N-bis(cyanomethyl)thiophene-2-carboxamide

C9H7N3OS — CID 710672

IUPACN,N-bis(cyanomethyl)thiophene-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cccs1
InChIInChI=1S/C9H7N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,5-6H2
InChIKeyUKNXXMRBUFQJHI-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.24
Rot. Bonds3

About N,N-bis(cyanomethyl)thiophene-2-carboxamide

N,N-bis(cyanomethyl)thiophene-2-carboxamide (PubChem CID 710672) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)thiophene-2-carboxamide
PubChem CID710672
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC NameN,N-bis(cyanomethyl)thiophene-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cccs1
InChIInChI=1S/C9H7N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,5-6H2
InChIKeyUKNXXMRBUFQJHI-UHFFFAOYSA-N
XLogP1.24
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
5-(4-bromophenyl)-N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 52832567
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
N-[4-(cyanomethyl)cyclohexyl]-N-methylthiophene-2-carboxamide
CID 115270297
3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
CID 63223350
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
4,5-dibromo-N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 112723253

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)thiophene-2-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)thiophene-2-carboxamide (CID 710672) is N,N-bis(cyanomethyl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)thiophene-2-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)thiophene-2-carboxamide is N#CCN(CC#N)C(=O)c1cccs1.
What is the InChIKey of N,N-bis(cyanomethyl)thiophene-2-carboxamide?
The InChIKey is UKNXXMRBUFQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,5-6H2.
What are the key properties of N,N-bis(cyanomethyl)thiophene-2-carboxamide?
N,N-bis(cyanomethyl)thiophene-2-carboxamide has a molecular weight of 205.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)thiophene-2-carboxamide is sourced from PubChem (CID 710672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).