ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide

C9H20F3NO2S — CID 165393913

IUPACethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
SMILESCC.CCC(C(C)NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S.C2H6/c1-4-6(7(8,9)10)5(2)11-14(3,12)13;1-2/h5-6,11H,4H2,1-3H3;1-2H3
InChIKeyTXDYLYLPFISXCA-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.54
Rot. Bonds4

About ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide

ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide (PubChem CID 165393913) has the molecular formula C9H20F3NO2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
PubChem CID165393913
Molecular FormulaC9H20F3NO2S
Molecular Weight263.32 g/mol
Exact Mass263.12
IUPAC Nameethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
SMILESCC.CCC(C(C)NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S.C2H6/c1-4-6(7(8,9)10)5(2)11-14(3,12)13;1-2/h5-6,11H,4H2,1-3H3;1-2H3
InChIKeyTXDYLYLPFISXCA-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393883
ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 165393903
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
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-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
The IUPAC name of ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide (CID 165393913) is ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide.
What is the SMILES notation for ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
The canonical SMILES for ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide is CC.CCC(C(C)NS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
The InChIKey is TXDYLYLPFISXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S.C2H6/c1-4-6(7(8,9)10)5(2)11-14(3,12)13;1-2/h5-6,11H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide has a molecular weight of 263.32 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 ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide is sourced from PubChem (CID 165393913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).