1-methyl-4-(2-methylsulfonylethyl)piperidine

C9H19NO2S — CID 91525345

IUPAC1-methyl-4-(2-methylsulfonylethyl)piperidine
SMILESCN1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-10-6-3-9(4-7-10)5-8-13(2,11)12/h9H,3-8H2,1-2H3
InChIKeyYYMNAHWGNRCDEC-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds3

About 1-methyl-4-(2-methylsulfonylethyl)piperidine

1-methyl-4-(2-methylsulfonylethyl)piperidine (PubChem CID 91525345) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylsulfonylethyl)piperidine
PubChem CID91525345
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-methyl-4-(2-methylsulfonylethyl)piperidine
SMILESCN1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-10-6-3-9(4-7-10)5-8-13(2,11)12/h9H,3-8H2,1-2H3
InChIKeyYYMNAHWGNRCDEC-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 1-methyl-4-(2-methylsulfonylethyl)piperidine (CID 91525345) is 1-methyl-4-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 1-methyl-4-(2-methylsulfonylethyl)piperidine is CN1CCC(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-(2-methylsulfonylethyl)piperidine?
The InChIKey is YYMNAHWGNRCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-10-6-3-9(4-7-10)5-8-13(2,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylsulfonylethyl)piperidine?
1-methyl-4-(2-methylsulfonylethyl)piperidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 91525345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).