N-(fluorosulfamoyl)octan-1-amine

C8H19FN2O2S — CID 172718944

IUPACN-(fluorosulfamoyl)octan-1-amine
SMILESCCCCCCCCNS(=O)(=O)NF
InChIInChI=1S/C8H19FN2O2S/c1-2-3-4-5-6-7-8-10-14(12,13)11-9/h10-11H,2-8H2,1H3
InChIKeyGFWRVCPQYQYJPN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.66
Rot. Bonds9

About N-(fluorosulfamoyl)octan-1-amine

N-(fluorosulfamoyl)octan-1-amine (PubChem CID 172718944) has the molecular formula C8H19FN2O2S and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(fluorosulfamoyl)octan-1-amine.

Molecular Properties

Compound NameN-(fluorosulfamoyl)octan-1-amine
PubChem CID172718944
Molecular FormulaC8H19FN2O2S
Molecular Weight226.32 g/mol
Exact Mass226.12
IUPAC NameN-(fluorosulfamoyl)octan-1-amine
SMILESCCCCCCCCNS(=O)(=O)NF
InChIInChI=1S/C8H19FN2O2S/c1-2-3-4-5-6-7-8-10-14(12,13)11-9/h10-11H,2-8H2,1H3
InChIKeyGFWRVCPQYQYJPN-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octadecyl-N'-propylsulfamide
CID 16103197
N-dodecyl-N''-hydroxysulfamide
CID 44401873
N-decyl-N''-hydroxysulfamide
CID 44401994
Hexyl(Hexylsulfamoyl)Amine
CID 15569647
N-octadecylsulfamide
CID 16103189
Nonylsulfamic acid
CID 24796781
N-hexadecylsulfamide
CID 16103190
N-hexadecyl-N'-propylsulfamide
CID 16103192
N-tetradecylsulfamide
CID 16103196
1-(Sulfamoylamino)dodecane
CID 44418905
1-(Sulfamoylamino)decane
CID 53775568
Octylsulfamic acid
CID 15894852

Frequently Asked Questions

What is the IUPAC name of N-(fluorosulfamoyl)octan-1-amine?
The IUPAC name of N-(fluorosulfamoyl)octan-1-amine (CID 172718944) is N-(fluorosulfamoyl)octan-1-amine.
What is the SMILES notation for N-(fluorosulfamoyl)octan-1-amine?
The canonical SMILES for N-(fluorosulfamoyl)octan-1-amine is CCCCCCCCNS(=O)(=O)NF.
What is the InChIKey of N-(fluorosulfamoyl)octan-1-amine?
The InChIKey is GFWRVCPQYQYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O2S/c1-2-3-4-5-6-7-8-10-14(12,13)11-9/h10-11H,2-8H2,1H3.
What are the key properties of N-(fluorosulfamoyl)octan-1-amine?
N-(fluorosulfamoyl)octan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluorosulfamoyl)octan-1-amine is sourced from PubChem (CID 172718944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).