propanoylsulfamic acid

C3H7NO4S — CID 18510286

IUPACpropanoylsulfamic acid
SMILESCCC(=O)NS(=O)(=O)O
InChIInChI=1S/C3H7NO4S/c1-2-3(5)4-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)
InChIKeyYMLJYJAJXBMKLR-UHFFFAOYSA-N
MW153.16 g/mol
LogP-0.68
Rot. Bonds2

About propanoylsulfamic acid

propanoylsulfamic acid (PubChem CID 18510286) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is propanoylsulfamic acid.

Molecular Properties

Compound Namepropanoylsulfamic acid
PubChem CID18510286
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Namepropanoylsulfamic acid
SMILESCCC(=O)NS(=O)(=O)O
InChIInChI=1S/C3H7NO4S/c1-2-3(5)4-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)
InChIKeyYMLJYJAJXBMKLR-UHFFFAOYSA-N
XLogP-0.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 propanoylsulfamic acid?
The IUPAC name of propanoylsulfamic acid (CID 18510286) is propanoylsulfamic acid.
What is the SMILES notation for propanoylsulfamic acid?
The canonical SMILES for propanoylsulfamic acid is CCC(=O)NS(=O)(=O)O.
What is the InChIKey of propanoylsulfamic acid?
The InChIKey is YMLJYJAJXBMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c1-2-3(5)4-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8).
What are the key properties of propanoylsulfamic acid?
propanoylsulfamic acid has a molecular weight of 153.16 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoylsulfamic acid is sourced from PubChem (CID 18510286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).