N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

C10H20F3NO2S — CID 129153534

IUPACN-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCC(CN(CC(F)(F)F)S(C)(=O)=O)C(C)C
InChIInChI=1S/C10H20F3NO2S/c1-5-9(8(2)3)6-14(17(4,15)16)7-10(11,12)13/h8-9H,5-7H2,1-4H3
InChIKeyCYLSFVDEIXZKLZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.49
Rot. Bonds6

About N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 129153534) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID129153534
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCC(CN(CC(F)(F)F)S(C)(=O)=O)C(C)C
InChIInChI=1S/C10H20F3NO2S/c1-5-9(8(2)3)6-14(17(4,15)16)7-10(11,12)13/h8-9H,5-7H2,1-4H3
InChIKeyCYLSFVDEIXZKLZ-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-isopropyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276443
(3R,4R)-3-ethyl-4-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276444
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
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
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 88872623
N-tert-butyl-N-[3-(fluoromethyl)-4,4-dimethylpentyl]methanesulfonamide
CID 88980747

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 129153534) is N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is CCC(CN(CC(F)(F)F)S(C)(=O)=O)C(C)C.
What is the InChIKey of N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is CYLSFVDEIXZKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-5-9(8(2)3)6-14(17(4,15)16)7-10(11,12)13/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 129153534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).