2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine

C10H20ClNO2S — CID 63387072

IUPAC2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine
SMILESCS(=O)(=O)CCCN1CCCCC1CCl
InChIInChI=1S/C10H20ClNO2S/c1-15(13,14)8-4-7-12-6-3-2-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyUIKYIYMFPHLVDH-UHFFFAOYSA-N
MW253.79 g/mol
LogP1.51
Rot. Bonds5

About 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine

2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine (PubChem CID 63387072) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine
PubChem CID63387072
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine
SMILESCS(=O)(=O)CCCN1CCCCC1CCl
InChIInChI=1S/C10H20ClNO2S/c1-15(13,14)8-4-7-12-6-3-2-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyUIKYIYMFPHLVDH-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.51
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

N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
CID 63191742
1-(2-tert-butylsulfonylethyl)-2-(chloromethyl)azepane
CID 106731384
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
4-[2-(chloromethyl)piperidin-1-yl]butanenitrile
CID 12577372
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986
2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339524
1-(2-chloroethyl)-2-(chloromethyl)pyrrolidine;hydrochloride
CID 21144551

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine (CID 63387072) is 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine is CS(=O)(=O)CCCN1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine?
The InChIKey is UIKYIYMFPHLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-15(13,14)8-4-7-12-6-3-2-5-10(12)9-11/h10H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine?
2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine has a molecular weight of 253.79 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine is sourced from PubChem (CID 63387072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).