3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride

C5H12FNO4S2 — CID 165460561

IUPAC3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride
SMILESCN(C)S(=O)(=O)CCCS(=O)(=O)F
InChIInChI=1S/C5H12FNO4S2/c1-7(2)13(10,11)5-3-4-12(6,8)9/h3-5H2,1-2H3
InChIKeyLISDANJWZUBHMM-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.43
Rot. Bonds5

About 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride

3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride (PubChem CID 165460561) has the molecular formula C5H12FNO4S2 and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride
PubChem CID165460561
Molecular FormulaC5H12FNO4S2
Molecular Weight233.29 g/mol
Exact Mass233.02
IUPAC Name3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride
SMILESCN(C)S(=O)(=O)CCCS(=O)(=O)F
InChIInChI=1S/C5H12FNO4S2/c1-7(2)13(10,11)5-3-4-12(6,8)9/h3-5H2,1-2H3
InChIKeyLISDANJWZUBHMM-UHFFFAOYSA-N
XLogP-0.43
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride?
The IUPAC name of 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride (CID 165460561) is 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride?
The canonical SMILES for 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride is CN(C)S(=O)(=O)CCCS(=O)(=O)F.
What is the InChIKey of 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride?
The InChIKey is LISDANJWZUBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO4S2/c1-7(2)13(10,11)5-3-4-12(6,8)9/h3-5H2,1-2H3.
What are the key properties of 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride?
3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride has a molecular weight of 233.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 165460561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).