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

C11H20ClNO3S — CID 55186126

IUPAC2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCCCC1CCl
InChIInChI=1S/C11H20ClNO3S/c12-8-10-4-1-2-6-13(10)17(14,15)9-11-5-3-7-16-11/h10-11H,1-9H2
InChIKeyOADXROJGNHOSGE-UHFFFAOYSA-N
MW281.81 g/mol
LogP1.59
Rot. Bonds4

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

2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine (PubChem CID 55186126) has the molecular formula C11H20ClNO3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
PubChem CID55186126
Molecular FormulaC11H20ClNO3S
Molecular Weight281.81 g/mol
Exact Mass281.09
IUPAC Name2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCCCC1CCl
InChIInChI=1S/C11H20ClNO3S/c12-8-10-4-1-2-6-13(10)17(14,15)9-11-5-3-7-16-11/h10-11H,1-9H2
InChIKeyOADXROJGNHOSGE-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55187458
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
3-Chloro-8-(oxolan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 55237023
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
2-(Chloromethyl)-1-(oxan-4-ylsulfonyl)piperidine
CID 63396608
4-Chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 63396670
N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide
CID 63396685
2-(Chloromethyl)-1-(3-methoxypropylsulfonyl)piperidine
CID 63396738
N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396906
N-(2-chloroethyl)-N-cyclopentyloxane-4-sulfonamide
CID 63396940
2-(Chloromethyl)-1-(2-ethoxyethylsulfonyl)piperidine
CID 63396954

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine (CID 55186126) is 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCCO1)N1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The InChIKey is OADXROJGNHOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3S/c12-8-10-4-1-2-6-13(10)17(14,15)9-11-5-3-7-16-11/h10-11H,1-9H2.
What are the key properties of 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine?
2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine has a molecular weight of 281.81 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 55186126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).