cyclopent-3-en-1-ylsulfamic acid

C5H9NO3S — CID 154691940

IUPACcyclopent-3-en-1-ylsulfamic acid
SMILESO=S(=O)(O)NC1CC=CC1
InChIInChI=1S/C5H9NO3S/c7-10(8,9)6-5-3-1-2-4-5/h1-2,5-6H,3-4H2,(H,7,8,9)
InChIKeyISWGYQWKMUFJLQ-UHFFFAOYSA-N
MW163.20 g/mol
LogP0.10
Rot. Bonds2

About cyclopent-3-en-1-ylsulfamic acid

cyclopent-3-en-1-ylsulfamic acid (PubChem CID 154691940) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is cyclopent-3-en-1-ylsulfamic acid.

Molecular Properties

Compound Namecyclopent-3-en-1-ylsulfamic acid
PubChem CID154691940
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Namecyclopent-3-en-1-ylsulfamic acid
SMILESO=S(=O)(O)NC1CC=CC1
InChIInChI=1S/C5H9NO3S/c7-10(8,9)6-5-3-1-2-4-5/h1-2,5-6H,3-4H2,(H,7,8,9)
InChIKeyISWGYQWKMUFJLQ-UHFFFAOYSA-N
XLogP0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-ylsulfamic acid?
The IUPAC name of cyclopent-3-en-1-ylsulfamic acid (CID 154691940) is cyclopent-3-en-1-ylsulfamic acid.
What is the SMILES notation for cyclopent-3-en-1-ylsulfamic acid?
The canonical SMILES for cyclopent-3-en-1-ylsulfamic acid is O=S(=O)(O)NC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-ylsulfamic acid?
The InChIKey is ISWGYQWKMUFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-10(8,9)6-5-3-1-2-4-5/h1-2,5-6H,3-4H2,(H,7,8,9).
What are the key properties of cyclopent-3-en-1-ylsulfamic acid?
cyclopent-3-en-1-ylsulfamic acid has a molecular weight of 163.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-ylsulfamic acid is sourced from PubChem (CID 154691940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).