2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide

C15H18N2OS — CID 162660649

IUPAC2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide
SMILESN#Cc1cccc(CSC(C(N)=O)C2CCCC2)c1
InChIInChI=1S/C15H18N2OS/c16-9-11-4-3-5-12(8-11)10-19-14(15(17)18)13-6-1-2-7-13/h3-5,8,13-14H,1-2,6-7,10H2,(H2,17,18)
InChIKeySVAFHVUPFFDQBO-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.84
Rot. Bonds5

About 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide

2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide (PubChem CID 162660649) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide
PubChem CID162660649
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide
SMILESN#Cc1cccc(CSC(C(N)=O)C2CCCC2)c1
InChIInChI=1S/C15H18N2OS/c16-9-11-4-3-5-12(8-11)10-19-14(15(17)18)13-6-1-2-7-13/h3-5,8,13-14H,1-2,6-7,10H2,(H2,17,18)
InChIKeySVAFHVUPFFDQBO-UHFFFAOYSA-N
XLogP2.84
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide?
The IUPAC name of 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide (CID 162660649) is 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide is N#Cc1cccc(CSC(C(N)=O)C2CCCC2)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide?
The InChIKey is SVAFHVUPFFDQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-9-11-4-3-5-12(8-11)10-19-14(15(17)18)13-6-1-2-7-13/h3-5,8,13-14H,1-2,6-7,10H2,(H2,17,18).
What are the key properties of 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide?
2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide has a molecular weight of 274.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methylsulfanyl]-2-cyclopentylacetamide is sourced from PubChem (CID 162660649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).