N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide

C10H12N2OS — CID 2137674

IUPACN-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1sccc1C#N
InChIInChI=1S/C10H12N2OS/c1-10(2,3)9(13)12-8-7(6-11)4-5-14-8/h4-5H,1-3H3,(H,12,13)
InChIKeyDVASUGKHYJUVBT-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.60
Rot. Bonds1

About N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide

N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide (PubChem CID 2137674) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide
PubChem CID2137674
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1sccc1C#N
InChIInChI=1S/C10H12N2OS/c1-10(2,3)9(13)12-8-7(6-11)4-5-14-8/h4-5H,1-3H3,(H,12,13)
InChIKeyDVASUGKHYJUVBT-UHFFFAOYSA-N
XLogP2.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide (CID 2137674) is N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide?
The InChIKey is DVASUGKHYJUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2,3)9(13)12-8-7(6-11)4-5-14-8/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide?
N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide has a molecular weight of 208.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2137674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).