4,4-diethyl-1-methylsulfonylpiperidine

C10H21NO2S — CID 64584370

IUPAC4,4-diethyl-1-methylsulfonylpiperidine
SMILESCCC1(CC)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-4-10(5-2)6-8-11(9-7-10)14(3,12)13/h4-9H2,1-3H3
InChIKeyWLEIKVYTJWYTAX-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds3

About 4,4-diethyl-1-methylsulfonylpiperidine

4,4-diethyl-1-methylsulfonylpiperidine (PubChem CID 64584370) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4,4-diethyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4,4-diethyl-1-methylsulfonylpiperidine
PubChem CID64584370
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4,4-diethyl-1-methylsulfonylpiperidine
SMILESCCC1(CC)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-4-10(5-2)6-8-11(9-7-10)14(3,12)13/h4-9H2,1-3H3
InChIKeyWLEIKVYTJWYTAX-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-methylsulfonylpiperidine?
The IUPAC name of 4,4-diethyl-1-methylsulfonylpiperidine (CID 64584370) is 4,4-diethyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4,4-diethyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4,4-diethyl-1-methylsulfonylpiperidine is CCC1(CC)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4,4-diethyl-1-methylsulfonylpiperidine?
The InChIKey is WLEIKVYTJWYTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(5-2)6-8-11(9-7-10)14(3,12)13/h4-9H2,1-3H3.
What are the key properties of 4,4-diethyl-1-methylsulfonylpiperidine?
4,4-diethyl-1-methylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 64584370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).