1-(chloromethylsulfonyl)piperidin-4-ol

C6H12ClNO3S — CID 63664067

IUPAC1-(chloromethylsulfonyl)piperidin-4-ol
SMILESO=S(=O)(CCl)N1CCC(O)CC1
InChIInChI=1S/C6H12ClNO3S/c7-5-12(10,11)8-3-1-6(9)2-4-8/h6,9H,1-5H2
InChIKeyWSJDXZHRPHOWRI-UHFFFAOYSA-N
MW213.69 g/mol
LogP-0.03
Rot. Bonds2

About 1-(chloromethylsulfonyl)piperidin-4-ol

1-(chloromethylsulfonyl)piperidin-4-ol (PubChem CID 63664067) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)piperidin-4-ol
PubChem CID63664067
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name1-(chloromethylsulfonyl)piperidin-4-ol
SMILESO=S(=O)(CCl)N1CCC(O)CC1
InChIInChI=1S/C6H12ClNO3S/c7-5-12(10,11)8-3-1-6(9)2-4-8/h6,9H,1-5H2
InChIKeyWSJDXZHRPHOWRI-UHFFFAOYSA-N
XLogP-0.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(chloromethylsulfonyl)piperidin-4-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 1-(chloromethylsulfonyl)piperidin-4-ol?
The IUPAC name of 1-(chloromethylsulfonyl)piperidin-4-ol (CID 63664067) is 1-(chloromethylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 1-(chloromethylsulfonyl)piperidin-4-ol?
The canonical SMILES for 1-(chloromethylsulfonyl)piperidin-4-ol is O=S(=O)(CCl)N1CCC(O)CC1.
What is the InChIKey of 1-(chloromethylsulfonyl)piperidin-4-ol?
The InChIKey is WSJDXZHRPHOWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c7-5-12(10,11)8-3-1-6(9)2-4-8/h6,9H,1-5H2.
What are the key properties of 1-(chloromethylsulfonyl)piperidin-4-ol?
1-(chloromethylsulfonyl)piperidin-4-ol has a molecular weight of 213.69 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 63664067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).