cyclopentylsulfamic acid

C5H11NO3S — CID 21123026

IUPACcyclopentylsulfamic acid
SMILESO=S(=O)(O)NC1CCCC1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)6-5-3-1-2-4-5/h5-6H,1-4H2,(H,7,8,9)
InChIKeyGBEWVFVMUXHESI-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.32
Rot. Bonds2

About cyclopentylsulfamic acid

cyclopentylsulfamic acid (PubChem CID 21123026) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is cyclopentylsulfamic acid.

Molecular Properties

Compound Namecyclopentylsulfamic acid
PubChem CID21123026
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Namecyclopentylsulfamic acid
SMILESO=S(=O)(O)NC1CCCC1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)6-5-3-1-2-4-5/h5-6H,1-4H2,(H,7,8,9)
InChIKeyGBEWVFVMUXHESI-UHFFFAOYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
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 cyclopentylsulfamic acid?
The IUPAC name of cyclopentylsulfamic acid (CID 21123026) is cyclopentylsulfamic acid.
What is the SMILES notation for cyclopentylsulfamic acid?
The canonical SMILES for cyclopentylsulfamic acid is O=S(=O)(O)NC1CCCC1.
What is the InChIKey of cyclopentylsulfamic acid?
The InChIKey is GBEWVFVMUXHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c7-10(8,9)6-5-3-1-2-4-5/h5-6H,1-4H2,(H,7,8,9).
What are the key properties of cyclopentylsulfamic acid?
cyclopentylsulfamic acid has a molecular weight of 165.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylsulfamic acid is sourced from PubChem (CID 21123026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).