N-butyl-N-methylsulfamoyl fluoride

C5H12FNO2S — CID 130266496

IUPACN-butyl-N-methylsulfamoyl fluoride
SMILESCCCCN(C)S(=O)(=O)F
InChIInChI=1S/C5H12FNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3
InChIKeyJXJXPQQJTYMIQX-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.93
Rot. Bonds4

About N-butyl-N-methylsulfamoyl fluoride

N-butyl-N-methylsulfamoyl fluoride (PubChem CID 130266496) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-butyl-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-butyl-N-methylsulfamoyl fluoride
PubChem CID130266496
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-butyl-N-methylsulfamoyl fluoride
SMILESCCCCN(C)S(=O)(=O)F
InChIInChI=1S/C5H12FNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3
InChIKeyJXJXPQQJTYMIQX-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylsulfamoyl fluoride?
The IUPAC name of N-butyl-N-methylsulfamoyl fluoride (CID 130266496) is N-butyl-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-butyl-N-methylsulfamoyl fluoride?
The canonical SMILES for N-butyl-N-methylsulfamoyl fluoride is CCCCN(C)S(=O)(=O)F.
What is the InChIKey of N-butyl-N-methylsulfamoyl fluoride?
The InChIKey is JXJXPQQJTYMIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylsulfamoyl fluoride?
N-butyl-N-methylsulfamoyl fluoride has a molecular weight of 169.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylsulfamoyl fluoride is sourced from PubChem (CID 130266496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).