4-ethyl-4-methyl-1-methylsulfonylpiperidine

C9H19NO2S — CID 58959862

IUPAC4-ethyl-4-methyl-1-methylsulfonylpiperidine
SMILESCCC1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-4-9(2)5-7-10(8-6-9)13(3,11)12/h4-8H2,1-3H3
InChIKeyBATSXQGMWANBMQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds2

About 4-ethyl-4-methyl-1-methylsulfonylpiperidine

4-ethyl-4-methyl-1-methylsulfonylpiperidine (PubChem CID 58959862) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-ethyl-4-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-ethyl-4-methyl-1-methylsulfonylpiperidine
PubChem CID58959862
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-ethyl-4-methyl-1-methylsulfonylpiperidine
SMILESCCC1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-4-9(2)5-7-10(8-6-9)13(3,11)12/h4-8H2,1-3H3
InChIKeyBATSXQGMWANBMQ-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-ethyl-4-methyl-1-methylsulfonylpiperidine (CID 58959862) is 4-ethyl-4-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-ethyl-4-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-ethyl-4-methyl-1-methylsulfonylpiperidine is CCC1(C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-ethyl-4-methyl-1-methylsulfonylpiperidine?
The InChIKey is BATSXQGMWANBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9(2)5-7-10(8-6-9)13(3,11)12/h4-8H2,1-3H3.
What are the key properties of 4-ethyl-4-methyl-1-methylsulfonylpiperidine?
4-ethyl-4-methyl-1-methylsulfonylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 58959862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).