4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane

C8H17F3N2O2S — CID 100744474

IUPAC4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane
SMILESCN(C)S(=O)(=O)NCCC(C)(C)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,8(9,10)11)5-6-12-16(14,15)13(3)4/h12H,5-6H2,1-4H3
InChIKeyRGXKVPYQBLBQOW-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.36
Rot. Bonds5

About 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane

4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane (PubChem CID 100744474) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane
PubChem CID100744474
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane
SMILESCN(C)S(=O)(=O)NCCC(C)(C)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,8(9,10)11)5-6-12-16(14,15)13(3)4/h12H,5-6H2,1-4H3
InChIKeyRGXKVPYQBLBQOW-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane?
The IUPAC name of 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane (CID 100744474) is 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane?
The canonical SMILES for 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane is CN(C)S(=O)(=O)NCCC(C)(C)C(F)(F)F.
What is the InChIKey of 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane?
The InChIKey is RGXKVPYQBLBQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(2,8(9,10)11)5-6-12-16(14,15)13(3)4/h12H,5-6H2,1-4H3.
What are the key properties of 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane?
4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane has a molecular weight of 262.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane is sourced from PubChem (CID 100744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).