octylsulfamic acid

C8H19NO3S — CID 15894852

IUPACoctylsulfamic acid
SMILESCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-9-13(10,11)12/h9H,2-8H2,1H3,(H,10,11,12)
InChIKeyOGEUVWJPDIDHBN-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.74
Rot. Bonds8

About octylsulfamic acid

octylsulfamic acid (PubChem CID 15894852) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is octylsulfamic acid.

Molecular Properties

Compound Nameoctylsulfamic acid
PubChem CID15894852
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Nameoctylsulfamic acid
SMILESCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-9-13(10,11)12/h9H,2-8H2,1H3,(H,10,11,12)
InChIKeyOGEUVWJPDIDHBN-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octylsulfamic acid?
The IUPAC name of octylsulfamic acid (CID 15894852) is octylsulfamic acid.
What is the SMILES notation for octylsulfamic acid?
The canonical SMILES for octylsulfamic acid is CCCCCCCCNS(=O)(=O)O.
What is the InChIKey of octylsulfamic acid?
The InChIKey is OGEUVWJPDIDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-9-13(10,11)12/h9H,2-8H2,1H3,(H,10,11,12).
What are the key properties of octylsulfamic acid?
octylsulfamic acid has a molecular weight of 209.31 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octylsulfamic acid is sourced from PubChem (CID 15894852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).