N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C7H12F6N2O4S2 — CID 166667972

IUPACN-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCC(C)(N)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F6N2O4S2/c1-3-4-5(2,14)15(20(16,17)6(8,9)10)21(18,19)7(11,12)13/h3-4,14H2,1-2H3
InChIKeyYDLSPEDFRCQMFM-UHFFFAOYSA-N
MW366.31 g/mol
LogP1.46
Rot. Bonds5

About N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 166667972) has the molecular formula C7H12F6N2O4S2 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID166667972
Molecular FormulaC7H12F6N2O4S2
Molecular Weight366.31 g/mol
Exact Mass366.01
IUPAC NameN-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCC(C)(N)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F6N2O4S2/c1-3-4-5(2,14)15(20(16,17)6(8,9)10)21(18,19)7(11,12)13/h3-4,14H2,1-2H3
InChIKeyYDLSPEDFRCQMFM-UHFFFAOYSA-N
XLogP1.46
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 166667972) is N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCC(C)(N)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is YDLSPEDFRCQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F6N2O4S2/c1-3-4-5(2,14)15(20(16,17)6(8,9)10)21(18,19)7(11,12)13/h3-4,14H2,1-2H3.
What are the key properties of N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 366.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 166667972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).