N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide

C9H18F3NO2S — CID 163926699

IUPACN-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(C)(CNS(=O)(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO2S/c1-5-8(4,7(2)3)6-13-16(14,15)9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyRFCPHEXCWBTYRY-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.50
Rot. Bonds5

About N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide

N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 163926699) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID163926699
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(C)(CNS(=O)(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO2S/c1-5-8(4,7(2)3)6-13-16(14,15)9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyRFCPHEXCWBTYRY-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide
CID 58124376
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-(2-ethyl-2-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 164021219
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
1,1,1-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)methanesulfonamide
CID 177280021
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 177280038
1,1,1-trifluoro-N-(2,2,4-trimethylpentan-3-yl)methanesulfonamide
CID 177280051
1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102912988
1,1,1-trifluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102913073
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
4,4,4-trifluoro-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide
CID 113752207
N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide
CID 58124599

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide (CID 163926699) is N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide is CCC(C)(CNS(=O)(=O)C(F)(F)F)C(C)C.
What is the InChIKey of N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RFCPHEXCWBTYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-5-8(4,7(2)3)6-13-16(14,15)9(10,11)12/h7,13H,5-6H2,1-4H3.
What are the key properties of N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 163926699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).