2-[fluoromethyl(sulfamoyl)amino]pentane

C6H15FN2O2S — CID 167049038

IUPAC2-[fluoromethyl(sulfamoyl)amino]pentane
SMILESCCCC(C)N(CF)S(N)(=O)=O
InChIInChI=1S/C6H15FN2O2S/c1-3-4-6(2)9(5-7)12(8,10)11/h6H,3-5H2,1-2H3,(H2,8,10,11)
InChIKeyHGZBZSGNQMBOEU-UHFFFAOYSA-N
MW198.26 g/mol
LogP0.61
Rot. Bonds5

About 2-[fluoromethyl(sulfamoyl)amino]pentane

2-[fluoromethyl(sulfamoyl)amino]pentane (PubChem CID 167049038) has the molecular formula C6H15FN2O2S and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[fluoromethyl(sulfamoyl)amino]pentane.

Molecular Properties

Compound Name2-[fluoromethyl(sulfamoyl)amino]pentane
PubChem CID167049038
Molecular FormulaC6H15FN2O2S
Molecular Weight198.26 g/mol
Exact Mass198.08
IUPAC Name2-[fluoromethyl(sulfamoyl)amino]pentane
SMILESCCCC(C)N(CF)S(N)(=O)=O
InChIInChI=1S/C6H15FN2O2S/c1-3-4-6(2)9(5-7)12(8,10)11/h6H,3-5H2,1-2H3,(H2,8,10,11)
InChIKeyHGZBZSGNQMBOEU-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 163275006
CID 163275006
CID 163275440
CID 163275440
CID 164758048
CID 164758048
CID 167049012
CID 167049012
CID 167049044
CID 167049044
CID 167049060
CID 167049060
CID 167049066
CID 167049066
CID 112573569
CID 112573569
CID 43243299
CID 43243299
CID 43429125
CID 43429125
CID 43273183
CID 43273183
CID 43430464
CID 43430464

Frequently Asked Questions

What is the IUPAC name of 2-[fluoromethyl(sulfamoyl)amino]pentane?
The IUPAC name of 2-[fluoromethyl(sulfamoyl)amino]pentane (CID 167049038) is 2-[fluoromethyl(sulfamoyl)amino]pentane.
What is the SMILES notation for 2-[fluoromethyl(sulfamoyl)amino]pentane?
The canonical SMILES for 2-[fluoromethyl(sulfamoyl)amino]pentane is CCCC(C)N(CF)S(N)(=O)=O.
What is the InChIKey of 2-[fluoromethyl(sulfamoyl)amino]pentane?
The InChIKey is HGZBZSGNQMBOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2O2S/c1-3-4-6(2)9(5-7)12(8,10)11/h6H,3-5H2,1-2H3,(H2,8,10,11).
What are the key properties of 2-[fluoromethyl(sulfamoyl)amino]pentane?
2-[fluoromethyl(sulfamoyl)amino]pentane has a molecular weight of 198.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoromethyl(sulfamoyl)amino]pentane is sourced from PubChem (CID 167049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).