ethyl(propyl)sulfamic acid

C5H13NO3S — CID 23466969

IUPACethyl(propyl)sulfamic acid
SMILESCCCN(CC)S(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-3-5-6(4-2)10(7,8)9/h3-5H2,1-2H3,(H,7,8,9)
InChIKeyPPLWSTFHGHCQHR-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.52
Rot. Bonds4

About ethyl(propyl)sulfamic acid

ethyl(propyl)sulfamic acid (PubChem CID 23466969) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is ethyl(propyl)sulfamic acid.

Molecular Properties

Compound Nameethyl(propyl)sulfamic acid
PubChem CID23466969
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Nameethyl(propyl)sulfamic acid
SMILESCCCN(CC)S(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-3-5-6(4-2)10(7,8)9/h3-5H2,1-2H3,(H,7,8,9)
InChIKeyPPLWSTFHGHCQHR-UHFFFAOYSA-N
XLogP0.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl(propyl)sulfamic acid?
The IUPAC name of ethyl(propyl)sulfamic acid (CID 23466969) is ethyl(propyl)sulfamic acid.
What is the SMILES notation for ethyl(propyl)sulfamic acid?
The canonical SMILES for ethyl(propyl)sulfamic acid is CCCN(CC)S(=O)(=O)O.
What is the InChIKey of ethyl(propyl)sulfamic acid?
The InChIKey is PPLWSTFHGHCQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-5-6(4-2)10(7,8)9/h3-5H2,1-2H3,(H,7,8,9).
What are the key properties of ethyl(propyl)sulfamic acid?
ethyl(propyl)sulfamic acid has a molecular weight of 167.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(propyl)sulfamic acid is sourced from PubChem (CID 23466969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).