tetradecylsulfamic acid

C14H31NO3S — CID 14227623

IUPACtetradecylsulfamic acid
SMILESCCCCCCCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h15H,2-14H2,1H3,(H,16,17,18)
InChIKeyYQXSCOXEGWYNEZ-UHFFFAOYSA-N
MW293.47 g/mol
LogP4.08
Rot. Bonds14

About tetradecylsulfamic acid

tetradecylsulfamic acid (PubChem CID 14227623) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is tetradecylsulfamic acid.

Molecular Properties

Compound Nametetradecylsulfamic acid
PubChem CID14227623
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC Nametetradecylsulfamic acid
SMILESCCCCCCCCCCCCCCNS(=O)(=O)O
InChIInChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h15H,2-14H2,1H3,(H,16,17,18)
InChIKeyYQXSCOXEGWYNEZ-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 54.08
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 tetradecylsulfamic acid?
The IUPAC name of tetradecylsulfamic acid (CID 14227623) is tetradecylsulfamic acid.
What is the SMILES notation for tetradecylsulfamic acid?
The canonical SMILES for tetradecylsulfamic acid is CCCCCCCCCCCCCCNS(=O)(=O)O.
What is the InChIKey of tetradecylsulfamic acid?
The InChIKey is YQXSCOXEGWYNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h15H,2-14H2,1H3,(H,16,17,18).
What are the key properties of tetradecylsulfamic acid?
tetradecylsulfamic acid has a molecular weight of 293.47 g/mol, XLogP of 4.08, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylsulfamic acid is sourced from PubChem (CID 14227623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).