N-(3-cyanothiophen-2-yl)butanamide

C9H10N2OS — CID 2137681

IUPACN-(3-cyanothiophen-2-yl)butanamide
SMILESCCCC(=O)Nc1sccc1C#N
InChIInChI=1S/C9H10N2OS/c1-2-3-8(12)11-9-7(6-10)4-5-13-9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyIYUHAYXDBPHQCG-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.36
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)butanamide

N-(3-cyanothiophen-2-yl)butanamide (PubChem CID 2137681) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)butanamide
PubChem CID2137681
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-(3-cyanothiophen-2-yl)butanamide
SMILESCCCC(=O)Nc1sccc1C#N
InChIInChI=1S/C9H10N2OS/c1-2-3-8(12)11-9-7(6-10)4-5-13-9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyIYUHAYXDBPHQCG-UHFFFAOYSA-N
XLogP2.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.36
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)butanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)butanamide (CID 2137681) is N-(3-cyanothiophen-2-yl)butanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)butanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)butanamide is CCCC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)butanamide?
The InChIKey is IYUHAYXDBPHQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-3-8(12)11-9-7(6-10)4-5-13-9/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(3-cyanothiophen-2-yl)butanamide?
N-(3-cyanothiophen-2-yl)butanamide has a molecular weight of 194.26 g/mol, XLogP of 2.36, 3 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)butanamide is sourced from PubChem (CID 2137681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).