N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide

C6H10F3NO2S — CID 130662657

IUPACN-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC1C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10-5-3-2-4(5)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyWFYWFFOTPCMQFK-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.88
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide

N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide (PubChem CID 130662657) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide
PubChem CID130662657
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC1C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10-5-3-2-4(5)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyWFYWFFOTPCMQFK-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-(2,2-difluorocyclobutyl)methanesulfonamide
CID 167090117
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(2-amino-4-methylpentyl)-1,1,1-trifluoromethanesulfonamide
CID 43606426
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63889721
N-(2-amino-3-methylbutyl)-1,1-difluoromethanesulfonamide
CID 64173996
N-(1-amino-3-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 64419663
N-[(3-aminocyclobutyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 65989002

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide (CID 130662657) is N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide is CS(=O)(=O)NC1CCC1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide?
The InChIKey is WFYWFFOTPCMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-13(11,12)10-5-3-2-4(5)6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide?
N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclobutyl]methanesulfonamide is sourced from PubChem (CID 130662657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).