4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane

C12H27FN2O2S — CID 155929611

IUPAC4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane
SMILESCNS(=O)(=O)N(C)C(C)CC(C)(F)CCC(C)C
InChIInChI=1S/C12H27FN2O2S/c1-10(2)7-8-12(4,13)9-11(3)15(6)18(16,17)14-5/h10-11,14H,7-9H2,1-6H3
InChIKeyQRSQRVPGKLZFFM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.33
Rot. Bonds8

About 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane

4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane (PubChem CID 155929611) has the molecular formula C12H27FN2O2S and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane.

Molecular Properties

Compound Name4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane
PubChem CID155929611
Molecular FormulaC12H27FN2O2S
Molecular Weight282.43 g/mol
Exact Mass282.18
IUPAC Name4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane
SMILESCNS(=O)(=O)N(C)C(C)CC(C)(F)CCC(C)C
InChIInChI=1S/C12H27FN2O2S/c1-10(2)7-8-12(4,13)9-11(3)15(6)18(16,17)14-5/h10-11,14H,7-9H2,1-6H3
InChIKeyQRSQRVPGKLZFFM-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane?
The IUPAC name of 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane (CID 155929611) is 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane.
What is the SMILES notation for 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane?
The canonical SMILES for 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane is CNS(=O)(=O)N(C)C(C)CC(C)(F)CCC(C)C.
What is the InChIKey of 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane?
The InChIKey is QRSQRVPGKLZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27FN2O2S/c1-10(2)7-8-12(4,13)9-11(3)15(6)18(16,17)14-5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane?
4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane has a molecular weight of 282.43 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,7-dimethyl-2-[methyl(methylsulfamoyl)amino]octane is sourced from PubChem (CID 155929611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).