1-fluoro-1-(sulfamoylamino)octane

C8H19FN2O2S — CID 175079417

IUPAC1-fluoro-1-(sulfamoylamino)octane
SMILESCCCCCCCC(F)NS(N)(=O)=O
InChIInChI=1S/C8H19FN2O2S/c1-2-3-4-5-6-7-8(9)11-14(10,12)13/h8,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeySSHHIYRKVKALKH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.44
Rot. Bonds8

About 1-fluoro-1-(sulfamoylamino)octane

1-fluoro-1-(sulfamoylamino)octane (PubChem CID 175079417) has the molecular formula C8H19FN2O2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-fluoro-1-(sulfamoylamino)octane.

Molecular Properties

Compound Name1-fluoro-1-(sulfamoylamino)octane
PubChem CID175079417
Molecular FormulaC8H19FN2O2S
Molecular Weight226.32 g/mol
Exact Mass226.12
IUPAC Name1-fluoro-1-(sulfamoylamino)octane
SMILESCCCCCCCC(F)NS(N)(=O)=O
InChIInChI=1S/C8H19FN2O2S/c1-2-3-4-5-6-7-8(9)11-14(10,12)13/h8,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeySSHHIYRKVKALKH-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(sulfamoylamino)heptane;2,2,2-trifluoroacetic acid
CID 175947630
1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(methylsulfamoyl)octan-2-amine
CID 167189143
hexane;sulfamide
CID 87750585
pentacosan-13-amine;sulfuric acid
CID 135341364
1-fluorotridecane-1-sulfonate;tetraethylazanium
CID 175169850
1-fluorononyl trifluoromethanesulfonate
CID 122369701
methyl (2R)-2-fluorodecanoate
CID 11333185
methyl 2-fluorododecanoate
CID 86171800
N-undecan-6-ylmethanesulfonamide
CID 54511279
1-aminooctadecane-1-sulfonic acid
CID 87917836
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(sulfamoylamino)octane?
The IUPAC name of 1-fluoro-1-(sulfamoylamino)octane (CID 175079417) is 1-fluoro-1-(sulfamoylamino)octane.
What is the SMILES notation for 1-fluoro-1-(sulfamoylamino)octane?
The canonical SMILES for 1-fluoro-1-(sulfamoylamino)octane is CCCCCCCC(F)NS(N)(=O)=O.
What is the InChIKey of 1-fluoro-1-(sulfamoylamino)octane?
The InChIKey is SSHHIYRKVKALKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O2S/c1-2-3-4-5-6-7-8(9)11-14(10,12)13/h8,11H,2-7H2,1H3,(H2,10,12,13).
What are the key properties of 1-fluoro-1-(sulfamoylamino)octane?
1-fluoro-1-(sulfamoylamino)octane has a molecular weight of 226.32 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(sulfamoylamino)octane is sourced from PubChem (CID 175079417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).