3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide

C10H20F3NO2S — CID 137470800

IUPAC3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-7(2)5-6-17(15,16)14-9(8(3)4)10(11,12)13/h7-9,14H,5-6H2,1-4H3
InChIKeyMLDMREULRFBARS-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.54
Rot. Bonds6

About 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide

3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide (PubChem CID 137470800) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
PubChem CID137470800
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC Name3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-7(2)5-6-17(15,16)14-9(8(3)4)10(11,12)13/h7-9,14H,5-6H2,1-4H3
InChIKeyMLDMREULRFBARS-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide (CID 137470800) is 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)NC(C(C)C)C(F)(F)F.
What is the InChIKey of 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide?
The InChIKey is MLDMREULRFBARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-7(2)5-6-17(15,16)14-9(8(3)4)10(11,12)13/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide?
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 137470800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).