4-(methylamino)piperidine-1-sulfinic acid

C6H14N2O2S — CID 66960084

IUPAC4-(methylamino)piperidine-1-sulfinic acid
SMILESCNC1CCN(S(=O)O)CC1
InChIInChI=1S/C6H14N2O2S/c1-7-6-2-4-8(5-3-6)11(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyXEQMVLVYAMJNBE-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.19
Rot. Bonds2

About 4-(methylamino)piperidine-1-sulfinic acid

4-(methylamino)piperidine-1-sulfinic acid (PubChem CID 66960084) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-(methylamino)piperidine-1-sulfinic acid.

Molecular Properties

Compound Name4-(methylamino)piperidine-1-sulfinic acid
PubChem CID66960084
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name4-(methylamino)piperidine-1-sulfinic acid
SMILESCNC1CCN(S(=O)O)CC1
InChIInChI=1S/C6H14N2O2S/c1-7-6-2-4-8(5-3-6)11(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyXEQMVLVYAMJNBE-UHFFFAOYSA-N
XLogP-0.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(methylamino)piperidine-1-sulfinic acid?
The IUPAC name of 4-(methylamino)piperidine-1-sulfinic acid (CID 66960084) is 4-(methylamino)piperidine-1-sulfinic acid.
What is the SMILES notation for 4-(methylamino)piperidine-1-sulfinic acid?
The canonical SMILES for 4-(methylamino)piperidine-1-sulfinic acid is CNC1CCN(S(=O)O)CC1.
What is the InChIKey of 4-(methylamino)piperidine-1-sulfinic acid?
The InChIKey is XEQMVLVYAMJNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-6-2-4-8(5-3-6)11(9)10/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-(methylamino)piperidine-1-sulfinic acid?
4-(methylamino)piperidine-1-sulfinic acid has a molecular weight of 178.26 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)piperidine-1-sulfinic acid is sourced from PubChem (CID 66960084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).