N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide

C12H24F3NO2S — CID 18735754

IUPACN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)N(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-10(2)16(8-6-11(3,4)5)19(17,18)9-7-12(13,14)15/h10H,6-9H2,1-5H3
InChIKeyFYWCRHNUSCOQJL-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.42
Rot. Bonds6

About N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide

N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 18735754) has the molecular formula C12H24F3NO2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
PubChem CID18735754
Molecular FormulaC12H24F3NO2S
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC NameN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)N(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-10(2)16(8-6-11(3,4)5)19(17,18)9-7-12(13,14)15/h10H,6-9H2,1-5H3
InChIKeyFYWCRHNUSCOQJL-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-propan-2-ylethanesulfonamide
CID 18735450
N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
CID 18735741
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735743
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735744
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propylpropane-1-sulfonamide
CID 18735745
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735753
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(3,3-dimethylbutyl)-3,3-difluoro-N-propylpropane-1-sulfonamide
CID 18735756
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 18735762
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 18735763
N-(3,3-dimethylbutyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 18735826
N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propan-2-ylethanesulfonamide
CID 18735827

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide (CID 18735754) is N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide is CC(C)N(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is FYWCRHNUSCOQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2S/c1-10(2)16(8-6-11(3,4)5)19(17,18)9-7-12(13,14)15/h10H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 18735754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).