3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane

C7H17FN2O2S — CID 155929424

IUPAC3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane
SMILESCNS(=O)(=O)N(C)CCC(C)(C)F
InChIInChI=1S/C7H17FN2O2S/c1-7(2,8)5-6-10(4)13(11,12)9-3/h9H,5-6H2,1-4H3
InChIKeyXVHNIYIQYCBSAM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.52
Rot. Bonds5

About 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane

3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane (PubChem CID 155929424) has the molecular formula C7H17FN2O2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane
PubChem CID155929424
Molecular FormulaC7H17FN2O2S
Molecular Weight212.29 g/mol
Exact Mass212.10
IUPAC Name3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane
SMILESCNS(=O)(=O)N(C)CCC(C)(C)F
InChIInChI=1S/C7H17FN2O2S/c1-7(2,8)5-6-10(4)13(11,12)9-3/h9H,5-6H2,1-4H3
InChIKeyXVHNIYIQYCBSAM-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane?
The IUPAC name of 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane (CID 155929424) is 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane.
What is the SMILES notation for 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane?
The canonical SMILES for 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane is CNS(=O)(=O)N(C)CCC(C)(C)F.
What is the InChIKey of 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane?
The InChIKey is XVHNIYIQYCBSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O2S/c1-7(2,8)5-6-10(4)13(11,12)9-3/h9H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane?
3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane has a molecular weight of 212.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane is sourced from PubChem (CID 155929424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).