1-(chloromethylsulfonyl)-2,3-dimethylpiperidine

C8H16ClNO2S — CID 63666234

IUPAC1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
SMILESCC1CCCN(S(=O)(=O)CCl)C1C
InChIInChI=1S/C8H16ClNO2S/c1-7-4-3-5-10(8(7)2)13(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyJUKQRZGDUWLWLT-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.63
Rot. Bonds2

About 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine

1-(chloromethylsulfonyl)-2,3-dimethylpiperidine (PubChem CID 63666234) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
PubChem CID63666234
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
SMILESCC1CCCN(S(=O)(=O)CCl)C1C
InChIInChI=1S/C8H16ClNO2S/c1-7-4-3-5-10(8(7)2)13(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyJUKQRZGDUWLWLT-UHFFFAOYSA-N
XLogP1.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine?
The IUPAC name of 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine (CID 63666234) is 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine.
What is the SMILES notation for 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine?
The canonical SMILES for 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine is CC1CCCN(S(=O)(=O)CCl)C1C.
What is the InChIKey of 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine?
The InChIKey is JUKQRZGDUWLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-7-4-3-5-10(8(7)2)13(11,12)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine?
1-(chloromethylsulfonyl)-2,3-dimethylpiperidine has a molecular weight of 225.74 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-2,3-dimethylpiperidine is sourced from PubChem (CID 63666234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).