1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide

C10H13F3N2OS — CID 113226383

IUPAC1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCSC(F)(F)F)CCCC1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)17-6-5-15-8(16)9(7-14)3-1-2-4-9/h1-6H2,(H,15,16)
InChIKeyAWYCNPGPKPZVJK-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.44
Rot. Bonds4

About 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide

1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 113226383) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide
PubChem CID113226383
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCSC(F)(F)F)CCCC1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)17-6-5-15-8(16)9(7-14)3-1-2-4-9/h1-6H2,(H,15,16)
InChIKeyAWYCNPGPKPZVJK-UHFFFAOYSA-N
XLogP2.44
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 60718245
1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 63226756
1-cyano-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide
CID 79039386
1-cyano-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 79078847
1-cyano-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 103528846
1-cyano-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carboxamide
CID 103754570
1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide
CID 103809161
1-cyano-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide
CID 104854889
6-amino-4,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexanamide
CID 106428156
2-[1-(aminomethyl)cyclobutyl]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106428226
4-(2-aminoethyl)-5,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexanamide
CID 106428344
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
CID 106428522

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide (CID 113226383) is 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCCSC(F)(F)F)CCCC1.
What is the InChIKey of 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is AWYCNPGPKPZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)17-6-5-15-8(16)9(7-14)3-1-2-4-9/h1-6H2,(H,15,16).
What are the key properties of 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide?
1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 113226383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).