1-(sulfinatocarbamoyl)piperidine

C6H11N2O3S- — CID 91802715

IUPAC1-(sulfinatocarbamoyl)piperidine
SMILESO=C(NS(=O)[O-])N1CCCCC1
InChIInChI=1S/C6H12N2O3S/c9-6(7-12(10)11)8-4-2-1-3-5-8/h1-5H2,(H,7,9)(H,10,11)/p-1
InChIKeyXCQDHWGQHJDXNH-UHFFFAOYSA-M
MW191.23 g/mol
LogP-0.02
Rot. Bonds1

About 1-(sulfinatocarbamoyl)piperidine

1-(sulfinatocarbamoyl)piperidine (PubChem CID 91802715) has the molecular formula C6H11N2O3S- and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(sulfinatocarbamoyl)piperidine.

Molecular Properties

Compound Name1-(sulfinatocarbamoyl)piperidine
PubChem CID91802715
Molecular FormulaC6H11N2O3S-
Molecular Weight191.23 g/mol
Exact Mass191.05
IUPAC Name1-(sulfinatocarbamoyl)piperidine
SMILESO=C(NS(=O)[O-])N1CCCCC1
InChIInChI=1S/C6H12N2O3S/c9-6(7-12(10)11)8-4-2-1-3-5-8/h1-5H2,(H,7,9)(H,10,11)/p-1
InChIKeyXCQDHWGQHJDXNH-UHFFFAOYSA-M
XLogP-0.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatocarbamoyl)piperidine?
The IUPAC name of 1-(sulfinatocarbamoyl)piperidine (CID 91802715) is 1-(sulfinatocarbamoyl)piperidine.
What is the SMILES notation for 1-(sulfinatocarbamoyl)piperidine?
The canonical SMILES for 1-(sulfinatocarbamoyl)piperidine is O=C(NS(=O)[O-])N1CCCCC1.
What is the InChIKey of 1-(sulfinatocarbamoyl)piperidine?
The InChIKey is XCQDHWGQHJDXNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2O3S/c9-6(7-12(10)11)8-4-2-1-3-5-8/h1-5H2,(H,7,9)(H,10,11)/p-1.
What are the key properties of 1-(sulfinatocarbamoyl)piperidine?
1-(sulfinatocarbamoyl)piperidine has a molecular weight of 191.23 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatocarbamoyl)piperidine is sourced from PubChem (CID 91802715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).