N-cyclopentyl-1,1,1-trifluoromethanesulfonamide

C6H10F3NO2S — CID 14076853

IUPACN-cyclopentyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-5-3-1-2-4-5/h5,10H,1-4H2
InChIKeyZIDNFADJQCXAAB-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.37
Rot. Bonds2

About N-cyclopentyl-1,1,1-trifluoromethanesulfonamide

N-cyclopentyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 14076853) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-cyclopentyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1,1,1-trifluoromethanesulfonamide
PubChem CID14076853
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-cyclopentyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-5-3-1-2-4-5/h5,10H,1-4H2
InChIKeyZIDNFADJQCXAAB-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-cyclopentyl-1,1,1-trifluoromethanesulfonamide (CID 14076853) is N-cyclopentyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-cyclopentyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-cyclopentyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCCC1)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZIDNFADJQCXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-5-3-1-2-4-5/h5,10H,1-4H2.
What are the key properties of N-cyclopentyl-1,1,1-trifluoromethanesulfonamide?
N-cyclopentyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14076853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).