(3-oxocyclopentyl)methylsulfamic acid

C6H11NO4S — CID 174259023

IUPAC(3-oxocyclopentyl)methylsulfamic acid
SMILESO=C1CCC(CNS(=O)(=O)O)C1
InChIInChI=1S/C6H11NO4S/c8-6-2-1-5(3-6)4-7-12(9,10)11/h5,7H,1-4H2,(H,9,10,11)
InChIKeyGJYVGQDZJCCVLA-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.25
Rot. Bonds3

About (3-oxocyclopentyl)methylsulfamic acid

(3-oxocyclopentyl)methylsulfamic acid (PubChem CID 174259023) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is (3-oxocyclopentyl)methylsulfamic acid.

Molecular Properties

Compound Name(3-oxocyclopentyl)methylsulfamic acid
PubChem CID174259023
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name(3-oxocyclopentyl)methylsulfamic acid
SMILESO=C1CCC(CNS(=O)(=O)O)C1
InChIInChI=1S/C6H11NO4S/c8-6-2-1-5(3-6)4-7-12(9,10)11/h5,7H,1-4H2,(H,9,10,11)
InChIKeyGJYVGQDZJCCVLA-UHFFFAOYSA-N
XLogP-0.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.25
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 (3-oxocyclopentyl)methylsulfamic acid?
The IUPAC name of (3-oxocyclopentyl)methylsulfamic acid (CID 174259023) is (3-oxocyclopentyl)methylsulfamic acid.
What is the SMILES notation for (3-oxocyclopentyl)methylsulfamic acid?
The canonical SMILES for (3-oxocyclopentyl)methylsulfamic acid is O=C1CCC(CNS(=O)(=O)O)C1.
What is the InChIKey of (3-oxocyclopentyl)methylsulfamic acid?
The InChIKey is GJYVGQDZJCCVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-6-2-1-5(3-6)4-7-12(9,10)11/h5,7H,1-4H2,(H,9,10,11).
What are the key properties of (3-oxocyclopentyl)methylsulfamic acid?
(3-oxocyclopentyl)methylsulfamic acid has a molecular weight of 193.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopentyl)methylsulfamic acid is sourced from PubChem (CID 174259023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).