5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide

C10H21F3N2O2S — CID 91392136

IUPAC5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
SMILESCC(C)(CN)CC(C)(C)CS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-8(2,6-14)5-9(3,4)7-18(16,17)15-10(11,12)13/h15H,5-7,14H2,1-4H3
InChIKeyMLYGTVOPUUXHLY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.83
Rot. Bonds6

About 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide

5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide (PubChem CID 91392136) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
PubChem CID91392136
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC Name5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
SMILESCC(C)(CN)CC(C)(C)CS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-8(2,6-14)5-9(3,4)7-18(16,17)15-10(11,12)13/h15H,5-7,14H2,1-4H3
InChIKeyMLYGTVOPUUXHLY-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide?
The IUPAC name of 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide (CID 91392136) is 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide.
What is the SMILES notation for 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide?
The canonical SMILES for 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide is CC(C)(CN)CC(C)(C)CS(=O)(=O)NC(F)(F)F.
What is the InChIKey of 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide?
The InChIKey is MLYGTVOPUUXHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-8(2,6-14)5-9(3,4)7-18(16,17)15-10(11,12)13/h15H,5-7,14H2,1-4H3.
What are the key properties of 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide?
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide is sourced from PubChem (CID 91392136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).