1-(chloromethylsulfonyl)-4,4-diethylpiperidine

C10H20ClNO2S — CID 63663969

IUPAC1-(chloromethylsulfonyl)-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(S(=O)(=O)CCl)CC1
InChIInChI=1S/C10H20ClNO2S/c1-3-10(4-2)5-7-12(8-6-10)15(13,14)9-11/h3-9H2,1-2H3
InChIKeyKHMLHDZXNGWKNV-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.41
Rot. Bonds4

About 1-(chloromethylsulfonyl)-4,4-diethylpiperidine

1-(chloromethylsulfonyl)-4,4-diethylpiperidine (PubChem CID 63663969) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-4,4-diethylpiperidine.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-4,4-diethylpiperidine
PubChem CID63663969
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name1-(chloromethylsulfonyl)-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(S(=O)(=O)CCl)CC1
InChIInChI=1S/C10H20ClNO2S/c1-3-10(4-2)5-7-12(8-6-10)15(13,14)9-11/h3-9H2,1-2H3
InChIKeyKHMLHDZXNGWKNV-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.41
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)-4,4-diethylpiperidine?
The IUPAC name of 1-(chloromethylsulfonyl)-4,4-diethylpiperidine (CID 63663969) is 1-(chloromethylsulfonyl)-4,4-diethylpiperidine.
What is the SMILES notation for 1-(chloromethylsulfonyl)-4,4-diethylpiperidine?
The canonical SMILES for 1-(chloromethylsulfonyl)-4,4-diethylpiperidine is CCC1(CC)CCN(S(=O)(=O)CCl)CC1.
What is the InChIKey of 1-(chloromethylsulfonyl)-4,4-diethylpiperidine?
The InChIKey is KHMLHDZXNGWKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-3-10(4-2)5-7-12(8-6-10)15(13,14)9-11/h3-9H2,1-2H3.
What are the key properties of 1-(chloromethylsulfonyl)-4,4-diethylpiperidine?
1-(chloromethylsulfonyl)-4,4-diethylpiperidine has a molecular weight of 253.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-4,4-diethylpiperidine is sourced from PubChem (CID 63663969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).