4-(hydroxycarbamoyl)piperidine-4-sulfinic acid

C6H12N2O4S — CID 18337201

IUPAC4-(hydroxycarbamoyl)piperidine-4-sulfinic acid
SMILESO=C(NO)C1(S(=O)O)CCNCC1
InChIInChI=1S/C6H12N2O4S/c9-5(8-10)6(13(11)12)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)(H,11,12)
InChIKeyJLTHUOZZEJWKPY-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.16
Rot. Bonds2

About 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid

4-(hydroxycarbamoyl)piperidine-4-sulfinic acid (PubChem CID 18337201) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid.

Molecular Properties

Compound Name4-(hydroxycarbamoyl)piperidine-4-sulfinic acid
PubChem CID18337201
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name4-(hydroxycarbamoyl)piperidine-4-sulfinic acid
SMILESO=C(NO)C1(S(=O)O)CCNCC1
InChIInChI=1S/C6H12N2O4S/c9-5(8-10)6(13(11)12)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)(H,11,12)
InChIKeyJLTHUOZZEJWKPY-UHFFFAOYSA-N
XLogP-1.16
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid?
The IUPAC name of 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid (CID 18337201) is 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid.
What is the SMILES notation for 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid?
The canonical SMILES for 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid is O=C(NO)C1(S(=O)O)CCNCC1.
What is the InChIKey of 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid?
The InChIKey is JLTHUOZZEJWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c9-5(8-10)6(13(11)12)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)(H,11,12).
What are the key properties of 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid?
4-(hydroxycarbamoyl)piperidine-4-sulfinic acid has a molecular weight of 208.24 g/mol, XLogP of -1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxycarbamoyl)piperidine-4-sulfinic acid is sourced from PubChem (CID 18337201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).