N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C9H16F3NO2S — CID 146948342

IUPACN-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESC[C@@H]1CC1(C)CN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C9H16F3NO2S/c1-7-4-8(7,2)5-13(16(3,14)15)6-9(10,11)12/h7H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyAIFRJXWOIJQPCF-GVHYBUMESA-N
MW259.29 g/mol
LogP1.86
Rot. Bonds4

About N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 146948342) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID146948342
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESC[C@@H]1CC1(C)CN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C9H16F3NO2S/c1-7-4-8(7,2)5-13(16(3,14)15)6-9(10,11)12/h7H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyAIFRJXWOIJQPCF-GVHYBUMESA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573076
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573607
N-tert-butyl-N-[3-(fluoromethyl)-4,4-dimethylpentyl]methanesulfonamide
CID 88980747
N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 129153534
N-[(2R)-2-ethyl-3-methylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 156490454
5-(Difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane
CID 176666126
N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide
CID 88991661
1-(Difluoromethylsulfonyl)-3,3-dimethylpiperidine;ethane
CID 176666230

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 146948342) is N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is C[C@@H]1CC1(C)CN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is AIFRJXWOIJQPCF-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-7-4-8(7,2)5-13(16(3,14)15)6-9(10,11)12/h7H,4-6H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 146948342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).