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

C10H18ClNO3S — CID 63396412

IUPAC4-chloro-1-(oxan-4-ylsulfonyl)piperidine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Cl)CC1
InChIInChI=1S/C10H18ClNO3S/c11-9-1-5-12(6-2-9)16(13,14)10-3-7-15-8-4-10/h9-10H,1-8H2
InChIKeyBSSPVNAGIDMRSQ-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.20
Rot. Bonds2

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

4-chloro-1-(oxan-4-ylsulfonyl)piperidine (PubChem CID 63396412) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-chloro-1-(oxan-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(oxan-4-ylsulfonyl)piperidine
PubChem CID63396412
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC Name4-chloro-1-(oxan-4-ylsulfonyl)piperidine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Cl)CC1
InChIInChI=1S/C10H18ClNO3S/c11-9-1-5-12(6-2-9)16(13,14)10-3-7-15-8-4-10/h9-10H,1-8H2
InChIKeyBSSPVNAGIDMRSQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxan-4-ylsulfonyl)piperidine?
The IUPAC name of 4-chloro-1-(oxan-4-ylsulfonyl)piperidine (CID 63396412) is 4-chloro-1-(oxan-4-ylsulfonyl)piperidine.
What is the SMILES notation for 4-chloro-1-(oxan-4-ylsulfonyl)piperidine?
The canonical SMILES for 4-chloro-1-(oxan-4-ylsulfonyl)piperidine is O=S(=O)(C1CCOCC1)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(oxan-4-ylsulfonyl)piperidine?
The InChIKey is BSSPVNAGIDMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-9-1-5-12(6-2-9)16(13,14)10-3-7-15-8-4-10/h9-10H,1-8H2.
What are the key properties of 4-chloro-1-(oxan-4-ylsulfonyl)piperidine?
4-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 4-chloro-1-(oxan-4-ylsulfonyl)piperidine is sourced from PubChem (CID 63396412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).