N-decan-2-yl-1,1,1-trifluoromethanesulfonamide

C11H22F3NO2S — CID 71485991

IUPACN-decan-2-yl-1,1,1-trifluoromethanesulfonamide
SMILESCCCCCCCCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-3-4-5-6-7-8-9-10(2)15-18(16,17)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyPJRPNIHZLUPIDZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.56
Rot. Bonds9

About N-decan-2-yl-1,1,1-trifluoromethanesulfonamide

N-decan-2-yl-1,1,1-trifluoromethanesulfonamide (PubChem CID 71485991) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-decan-2-yl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-decan-2-yl-1,1,1-trifluoromethanesulfonamide
PubChem CID71485991
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-decan-2-yl-1,1,1-trifluoromethanesulfonamide
SMILESCCCCCCCCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-3-4-5-6-7-8-9-10(2)15-18(16,17)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyPJRPNIHZLUPIDZ-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-decan-2-yl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-decan-2-yl-1,1,1-trifluoromethanesulfonamide (CID 71485991) is N-decan-2-yl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-decan-2-yl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-decan-2-yl-1,1,1-trifluoromethanesulfonamide is CCCCCCCCC(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-decan-2-yl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PJRPNIHZLUPIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-3-4-5-6-7-8-9-10(2)15-18(16,17)11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-decan-2-yl-1,1,1-trifluoromethanesulfonamide?
N-decan-2-yl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decan-2-yl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 71485991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).