N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide

C6H10F3NO2S — CID 131207237

IUPACN-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(C(F)(F)F)CCC1
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10-5(3-2-4-5)6(7,8)9/h10H,2-4H2,1H3
InChIKeyPXKKXUPAUOZLJV-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.02
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide

N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide (PubChem CID 131207237) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide
PubChem CID131207237
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(C(F)(F)F)CCC1
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10-5(3-2-4-5)6(7,8)9/h10H,2-4H2,1H3
InChIKeyPXKKXUPAUOZLJV-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide (CID 131207237) is N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide is CS(=O)(=O)NC1(C(F)(F)F)CCC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide?
The InChIKey is PXKKXUPAUOZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-13(11,12)10-5(3-2-4-5)6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide?
N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide is sourced from PubChem (CID 131207237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).