2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide

C11H18N2OS — CID 103713466

IUPAC2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
SMILESCCSC1CCC(NC(=O)C(C)C#N)C1
InChIInChI=1S/C11H18N2OS/c1-3-15-10-5-4-9(6-10)13-11(14)8(2)7-12/h8-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyJJQOGYUVDZZDMZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.94
Rot. Bonds4

About 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide

2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide (PubChem CID 103713466) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
PubChem CID103713466
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
SMILESCCSC1CCC(NC(=O)C(C)C#N)C1
InChIInChI=1S/C11H18N2OS/c1-3-15-10-5-4-9(6-10)13-11(14)8(2)7-12/h8-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyJJQOGYUVDZZDMZ-UHFFFAOYSA-N
XLogP1.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide?
The IUPAC name of 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide (CID 103713466) is 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide.
What is the SMILES notation for 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide?
The canonical SMILES for 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide is CCSC1CCC(NC(=O)C(C)C#N)C1.
What is the InChIKey of 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide?
The InChIKey is JJQOGYUVDZZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-15-10-5-4-9(6-10)13-11(14)8(2)7-12/h8-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide?
2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide is sourced from PubChem (CID 103713466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).