4-azido-1-methylsulfonylpiperidin-3-ol

C6H12N4O3S — CID 21070649

IUPAC4-azido-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(N=[N+]=[N-])C(O)C1
InChIInChI=1S/C6H12N4O3S/c1-14(12,13)10-3-2-5(8-9-7)6(11)4-10/h5-6,11H,2-4H2,1H3
InChIKeyQCZXFIXUQRGOFE-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.31
Rot. Bonds2

About 4-azido-1-methylsulfonylpiperidin-3-ol

4-azido-1-methylsulfonylpiperidin-3-ol (PubChem CID 21070649) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-azido-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name4-azido-1-methylsulfonylpiperidin-3-ol
PubChem CID21070649
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name4-azido-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(N=[N+]=[N-])C(O)C1
InChIInChI=1S/C6H12N4O3S/c1-14(12,13)10-3-2-5(8-9-7)6(11)4-10/h5-6,11H,2-4H2,1H3
InChIKeyQCZXFIXUQRGOFE-UHFFFAOYSA-N
XLogP-0.31
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-azido-1-methylsulfonylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 4-azido-1-methylsulfonylpiperidin-3-ol (CID 21070649) is 4-azido-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 4-azido-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 4-azido-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1CCC(N=[N+]=[N-])C(O)C1.
What is the InChIKey of 4-azido-1-methylsulfonylpiperidin-3-ol?
The InChIKey is QCZXFIXUQRGOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-14(12,13)10-3-2-5(8-9-7)6(11)4-10/h5-6,11H,2-4H2,1H3.
What are the key properties of 4-azido-1-methylsulfonylpiperidin-3-ol?
4-azido-1-methylsulfonylpiperidin-3-ol has a molecular weight of 220.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 21070649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).