3-chloro-1-(oxan-4-ylsulfonyl)piperidine

C10H18ClNO3S — CID 63397100

IUPAC3-chloro-1-(oxan-4-ylsulfonyl)piperidine
SMILESO=S(=O)(C1CCOCC1)N1CCCC(Cl)C1
InChIInChI=1S/C10H18ClNO3S/c11-9-2-1-5-12(8-9)16(13,14)10-3-6-15-7-4-10/h9-10H,1-8H2
InChIKeyXGGXAMMJSWVAJZ-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.20
Rot. Bonds2

About 3-chloro-1-(oxan-4-ylsulfonyl)piperidine

3-chloro-1-(oxan-4-ylsulfonyl)piperidine (PubChem CID 63397100) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-chloro-1-(oxan-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(oxan-4-ylsulfonyl)piperidine
PubChem CID63397100
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC Name3-chloro-1-(oxan-4-ylsulfonyl)piperidine
SMILESO=S(=O)(C1CCOCC1)N1CCCC(Cl)C1
InChIInChI=1S/C10H18ClNO3S/c11-9-2-1-5-12(8-9)16(13,14)10-3-6-15-7-4-10/h9-10H,1-8H2
InChIKeyXGGXAMMJSWVAJZ-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(oxan-4-ylsulfonyl)piperidine 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 3-chloro-1-(oxan-4-ylsulfonyl)piperidine?
The IUPAC name of 3-chloro-1-(oxan-4-ylsulfonyl)piperidine (CID 63397100) is 3-chloro-1-(oxan-4-ylsulfonyl)piperidine.
What is the SMILES notation for 3-chloro-1-(oxan-4-ylsulfonyl)piperidine?
The canonical SMILES for 3-chloro-1-(oxan-4-ylsulfonyl)piperidine is O=S(=O)(C1CCOCC1)N1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(oxan-4-ylsulfonyl)piperidine?
The InChIKey is XGGXAMMJSWVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-9-2-1-5-12(8-9)16(13,14)10-3-6-15-7-4-10/h9-10H,1-8H2.
What are the key properties of 3-chloro-1-(oxan-4-ylsulfonyl)piperidine?
3-chloro-1-(oxan-4-ylsulfonyl)piperidine has a molecular weight of 267.78 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(oxan-4-ylsulfonyl)piperidine is sourced from PubChem (CID 63397100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).