nonylsulfamic acid

C9H21NO3S — CID 24796781

IUPACnonylsulfamic acid
SMILESCCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C9H21NO3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h10H,2-9H2,1H3,(H,11,12,13)
InChIKeyYOXPELHHBZBLIC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.13
Rot. Bonds9

About nonylsulfamic acid

nonylsulfamic acid (PubChem CID 24796781) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is nonylsulfamic acid.

Molecular Properties

Compound Namenonylsulfamic acid
PubChem CID24796781
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Namenonylsulfamic acid
SMILESCCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C9H21NO3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h10H,2-9H2,1H3,(H,11,12,13)
InChIKeyYOXPELHHBZBLIC-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.13
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 nonylsulfamic acid?
The IUPAC name of nonylsulfamic acid (CID 24796781) is nonylsulfamic acid.
What is the SMILES notation for nonylsulfamic acid?
The canonical SMILES for nonylsulfamic acid is CCCCCCCCCNS(=O)(=O)O.
What is the InChIKey of nonylsulfamic acid?
The InChIKey is YOXPELHHBZBLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h10H,2-9H2,1H3,(H,11,12,13).
What are the key properties of nonylsulfamic acid?
nonylsulfamic acid has a molecular weight of 223.34 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonylsulfamic acid is sourced from PubChem (CID 24796781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).