1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide

C7H14F3NO2S — CID 118301706

IUPAC1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2)4-5-11(3)14(12,13)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyLQEFTLGJRHLDKC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.81
Rot. Bonds4

About 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide

1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide (PubChem CID 118301706) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide
PubChem CID118301706
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2)4-5-11(3)14(12,13)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyLQEFTLGJRHLDKC-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-(trifluoromethyl)sulfonyl-pyrrolidine
CID 68090720
N-butyl-N-ethynyl-1,1,1-trifluoromethanesulfonamide
CID 134987468
(S)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276436
(R)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276441
(3R,4R)-3,4-dimethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276442
(2S)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 12022731
2-(Propan-2-yl)-1-(trifluoromethanesulfonyl)aziridine
CID 23251553
2-Methylpropyl(trifluoromethylsulfonyl)azanide
CID 58427694
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60766791
N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63932239
(2R)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 87665109
N-butyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 88559723

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide (CID 118301706) is 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide is CC(C)CCN(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide?
The InChIKey is LQEFTLGJRHLDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2)4-5-11(3)14(12,13)7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide?
1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 118301706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).