1-(sulfamoylamino)octane;hydrofluoride

C8H21FN2O2S — CID 175085495

IUPAC1-(sulfamoylamino)octane;hydrofluoride
SMILESCCCCCCCCNS(N)(=O)=O.F
InChIInChI=1S/C8H20N2O2S.FH/c1-2-3-4-5-6-7-8-10-13(9,11)12;/h10H,2-8H2,1H3,(H2,9,11,12);1H
InChIKeyLRGXUPAZNBBKCI-UHFFFAOYSA-N
MW228.33 g/mol
LogP1.29
Rot. Bonds8

About 1-(sulfamoylamino)octane;hydrofluoride

1-(sulfamoylamino)octane;hydrofluoride (PubChem CID 175085495) has the molecular formula C8H21FN2O2S and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(sulfamoylamino)octane;hydrofluoride.

Molecular Properties

Compound Name1-(sulfamoylamino)octane;hydrofluoride
PubChem CID175085495
Molecular FormulaC8H21FN2O2S
Molecular Weight228.33 g/mol
Exact Mass228.13
IUPAC Name1-(sulfamoylamino)octane;hydrofluoride
SMILESCCCCCCCCNS(N)(=O)=O.F
InChIInChI=1S/C8H20N2O2S.FH/c1-2-3-4-5-6-7-8-10-13(9,11)12;/h10H,2-8H2,1H3,(H2,9,11,12);1H
InChIKeyLRGXUPAZNBBKCI-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-octadecylpropane-1-sulfonamide
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N-decylbutane-1-sulfonamide
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sodium N-octadecylsulfamate
CID 87410765
hexane;sulfamide
CID 87750585
1-methylsulfonyl-3-(sulfamoylamino)propane
CID 112686404
sulfuric acid;tridecane
CID 91872702
1,1-difluoro-N-octadecylethanesulfonamide
CID 58122746
N-(dodecylsulfamoyl)formamide
CID 87822254
1-(propan-2-ylamino)-3-(sulfamoylamino)propane
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CID 144526252

Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)octane;hydrofluoride?
The IUPAC name of 1-(sulfamoylamino)octane;hydrofluoride (CID 175085495) is 1-(sulfamoylamino)octane;hydrofluoride.
What is the SMILES notation for 1-(sulfamoylamino)octane;hydrofluoride?
The canonical SMILES for 1-(sulfamoylamino)octane;hydrofluoride is CCCCCCCCNS(N)(=O)=O.F.
What is the InChIKey of 1-(sulfamoylamino)octane;hydrofluoride?
The InChIKey is LRGXUPAZNBBKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S.FH/c1-2-3-4-5-6-7-8-10-13(9,11)12;/h10H,2-8H2,1H3,(H2,9,11,12);1H.
What are the key properties of 1-(sulfamoylamino)octane;hydrofluoride?
1-(sulfamoylamino)octane;hydrofluoride has a molecular weight of 228.33 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)octane;hydrofluoride is sourced from PubChem (CID 175085495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).