N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide

C10H20F3NO2S — CID 177280010

IUPACN-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
SMILESCCC(C(NS(C)(=O)=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-6-7(10(11,12)13)8(9(2,3)4)14-17(5,15)16/h7-8,14H,6H2,1-5H3
InChIKeyFITNUFPXPJDTIO-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.54
Rot. Bonds4

About N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide

N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide (PubChem CID 177280010) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
PubChem CID177280010
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
SMILESCCC(C(NS(C)(=O)=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-6-7(10(11,12)13)8(9(2,3)4)14-17(5,15)16/h7-8,14H,6H2,1-5H3
InChIKeyFITNUFPXPJDTIO-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.54
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-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 156532369
N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 163926699
ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393883
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
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
N-(2-Ethylhexyl)trifluoromethanesulfonamide
CID 101696867
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

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide?
The IUPAC name of N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide (CID 177280010) is N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide?
The canonical SMILES for N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide is CCC(C(NS(C)(=O)=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide?
The InChIKey is FITNUFPXPJDTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-6-7(10(11,12)13)8(9(2,3)4)14-17(5,15)16/h7-8,14H,6H2,1-5H3.
What are the key properties of N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide?
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide is sourced from PubChem (CID 177280010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).