3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine

C11H20ClNO3S — CID 63397064

IUPAC3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCCC(CCl)C1
InChIInChI=1S/C11H20ClNO3S/c12-7-10-3-1-5-13(8-10)17(14,15)9-11-4-2-6-16-11/h10-11H,1-9H2
InChIKeyXVIXTVKQJQURQU-UHFFFAOYSA-N
MW281.81 g/mol
LogP1.45
Rot. Bonds4

About 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine

3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine (PubChem CID 63397064) has the molecular formula C11H20ClNO3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
PubChem CID63397064
Molecular FormulaC11H20ClNO3S
Molecular Weight281.81 g/mol
Exact Mass281.09
IUPAC Name3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCCC(CCl)C1
InChIInChI=1S/C11H20ClNO3S/c12-7-10-3-1-5-13(8-10)17(14,15)9-11-4-2-6-16-11/h10-11H,1-9H2
InChIKeyXVIXTVKQJQURQU-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55185756
2-(Chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55186126
2-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55187458
4-(Chloromethyl)-1-(oxan-4-ylsulfonyl)piperidine
CID 55187841
3-(Chloromethyl)-1-(oxan-4-ylsulfonyl)piperidine
CID 55188212
4-Chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 63396670
3-(Chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine
CID 63397108
3-(Chloromethyl)-1-(2-methoxyethylsulfonyl)piperidine
CID 63397109
3-Chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 63397384
3-(Chloromethyl)-1-(3-methoxypropylsulfonyl)piperidine
CID 63397615
3-(Chloromethyl)-1-(oxan-4-ylsulfonyl)pyrrolidine
CID 63400625
3-(2-Chloroethyl)-1-(2-ethoxyethylsulfonyl)piperidine
CID 63400632

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine (CID 63397064) is 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCCO1)N1CCCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The InChIKey is XVIXTVKQJQURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3S/c12-7-10-3-1-5-13(8-10)17(14,15)9-11-4-2-6-16-11/h10-11H,1-9H2.
What are the key properties of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine has a molecular weight of 281.81 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 63397064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).