3-(methoxymethyl)-1-methylsulfonylpiperidine

C8H17NO3S — CID 52992872

IUPAC3-(methoxymethyl)-1-methylsulfonylpiperidine
SMILESCOCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-7-8-4-3-5-9(6-8)13(2,10)11/h8H,3-7H2,1-2H3
InChIKeyKVJZKSAXXZNWRG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.30
Rot. Bonds3

About 3-(methoxymethyl)-1-methylsulfonylpiperidine

3-(methoxymethyl)-1-methylsulfonylpiperidine (PubChem CID 52992872) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methylsulfonylpiperidine
PubChem CID52992872
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(methoxymethyl)-1-methylsulfonylpiperidine
SMILESCOCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-7-8-4-3-5-9(6-8)13(2,10)11/h8H,3-7H2,1-2H3
InChIKeyKVJZKSAXXZNWRG-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 3-(methoxymethyl)-1-methylsulfonylpiperidine (CID 52992872) is 3-(methoxymethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-(methoxymethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 3-(methoxymethyl)-1-methylsulfonylpiperidine is COCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(methoxymethyl)-1-methylsulfonylpiperidine?
The InChIKey is KVJZKSAXXZNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-7-8-4-3-5-9(6-8)13(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-methylsulfonylpiperidine?
3-(methoxymethyl)-1-methylsulfonylpiperidine has a molecular weight of 207.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 52992872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).