decylsulfamic acid

C10H23NO3S — CID 19987803

IUPACdecylsulfamic acid
SMILESCCCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14)
InChIKeyYTVRFBQKVFJIQD-UHFFFAOYSA-N
MW237.36 g/mol
LogP2.52
Rot. Bonds10

About decylsulfamic acid

decylsulfamic acid (PubChem CID 19987803) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is decylsulfamic acid.

Molecular Properties

Compound Namedecylsulfamic acid
PubChem CID19987803
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Namedecylsulfamic acid
SMILESCCCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14)
InChIKeyYTVRFBQKVFJIQD-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 52.52
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 decylsulfamic acid?
The IUPAC name of decylsulfamic acid (CID 19987803) is decylsulfamic acid.
What is the SMILES notation for decylsulfamic acid?
The canonical SMILES for decylsulfamic acid is CCCCCCCCCCNS(=O)(=O)O.
What is the InChIKey of decylsulfamic acid?
The InChIKey is YTVRFBQKVFJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14).
What are the key properties of decylsulfamic acid?
decylsulfamic acid has a molecular weight of 237.36 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decylsulfamic acid is sourced from PubChem (CID 19987803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).