1-ethylsulfonyl-4,4-dimethylpiperidine

C9H19NO2S — CID 18722926

IUPAC1-ethylsulfonyl-4,4-dimethylpiperidine
SMILESCCS(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C9H19NO2S/c1-4-13(11,12)10-7-5-9(2,3)6-8-10/h4-8H2,1-3H3
InChIKeyLLUNLZQOVDDMSX-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds2

About 1-ethylsulfonyl-4,4-dimethylpiperidine

1-ethylsulfonyl-4,4-dimethylpiperidine (PubChem CID 18722926) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-ethylsulfonyl-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4,4-dimethylpiperidine
PubChem CID18722926
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-ethylsulfonyl-4,4-dimethylpiperidine
SMILESCCS(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C9H19NO2S/c1-4-13(11,12)10-7-5-9(2,3)6-8-10/h4-8H2,1-3H3
InChIKeyLLUNLZQOVDDMSX-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 1-ethylsulfonyl-4,4-dimethylpiperidine?
The IUPAC name of 1-ethylsulfonyl-4,4-dimethylpiperidine (CID 18722926) is 1-ethylsulfonyl-4,4-dimethylpiperidine.
What is the SMILES notation for 1-ethylsulfonyl-4,4-dimethylpiperidine?
The canonical SMILES for 1-ethylsulfonyl-4,4-dimethylpiperidine is CCS(=O)(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4,4-dimethylpiperidine?
The InChIKey is LLUNLZQOVDDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-13(11,12)10-7-5-9(2,3)6-8-10/h4-8H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4,4-dimethylpiperidine?
1-ethylsulfonyl-4,4-dimethylpiperidine 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 1-ethylsulfonyl-4,4-dimethylpiperidine is sourced from PubChem (CID 18722926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).