1-(2-methoxyethylsulfonyl)-4-methylpiperidine

C9H19NO3S — CID 59862678

IUPAC1-(2-methoxyethylsulfonyl)-4-methylpiperidine
SMILESCOCCS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C9H19NO3S/c1-9-3-5-10(6-4-9)14(11,12)8-7-13-2/h9H,3-8H2,1-2H3
InChIKeySVQCGZQLEBTLEA-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.69
Rot. Bonds4

About 1-(2-methoxyethylsulfonyl)-4-methylpiperidine

1-(2-methoxyethylsulfonyl)-4-methylpiperidine (PubChem CID 59862678) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-4-methylpiperidine
PubChem CID59862678
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(2-methoxyethylsulfonyl)-4-methylpiperidine
SMILESCOCCS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C9H19NO3S/c1-9-3-5-10(6-4-9)14(11,12)8-7-13-2/h9H,3-8H2,1-2H3
InChIKeySVQCGZQLEBTLEA-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine (CID 59862678) is 1-(2-methoxyethylsulfonyl)-4-methylpiperidine.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-4-methylpiperidine?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-4-methylpiperidine is COCCS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine?
The InChIKey is SVQCGZQLEBTLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9-3-5-10(6-4-9)14(11,12)8-7-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine?
1-(2-methoxyethylsulfonyl)-4-methylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-4-methylpiperidine is sourced from PubChem (CID 59862678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).