1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide

C7H14F3NO2S — CID 102232704

IUPAC1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-4-6(3,5-2)11-14(12,13)7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyOJMIPCPZFNYIEH-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.00
Rot. Bonds4

About 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide

1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide (PubChem CID 102232704) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide
PubChem CID102232704
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-4-6(3,5-2)11-14(12,13)7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyOJMIPCPZFNYIEH-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
CID 162621177
1,1,1-trifluoro-N-(1-methylcyclopentyl)methanesulfonamide
CID 177855032
N-(2,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 177855038
Tert-butylazanium;trifluoromethanesulfonate
CID 20277130
3-Ethylpentan-3-ylazanium;trifluoromethanesulfonate
CID 22715218
N-tert-butyl-1,1,1-trifluoromethanesulfonamide
CID 54432834
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
2-Methylbutan-2-ylazanium;trifluoromethanesulfonate
CID 118876474
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide
CID 167493874
2-Methylbutan-2-amine;trifluoromethanesulfonic acid
CID 171924604
3-Ethylpentan-3-amine;trifluoromethanesulfonic acid
CID 171927042

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide (CID 102232704) is 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide is CCC(C)(CC)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide?
The InChIKey is OJMIPCPZFNYIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-4-6(3,5-2)11-14(12,13)7(8,9)10/h11H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide?
1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 102232704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).