1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide

C13H20N2OS — CID 103709508

IUPAC1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
SMILESCCSC1CCC(NC(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C13H20N2OS/c1-2-17-11-5-4-10(8-11)15-12(16)13(9-14)6-3-7-13/h10-11H,2-8H2,1H3,(H,15,16)
InChIKeyQUWXKYVLHHXWNW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.47
Rot. Bonds4

About 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide

1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide (PubChem CID 103709508) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
PubChem CID103709508
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
SMILESCCSC1CCC(NC(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C13H20N2OS/c1-2-17-11-5-4-10(8-11)15-12(16)13(9-14)6-3-7-13/h10-11H,2-8H2,1H3,(H,15,16)
InChIKeyQUWXKYVLHHXWNW-UHFFFAOYSA-N
XLogP2.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide (CID 103709508) is 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide is CCSC1CCC(NC(=O)C2(C#N)CCC2)C1.
What is the InChIKey of 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide?
The InChIKey is QUWXKYVLHHXWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-17-11-5-4-10(8-11)15-12(16)13(9-14)6-3-7-13/h10-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide?
1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103709508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).