4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine

C12H25NO3S — CID 71244259

IUPAC4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine
SMILESCCC(C)(C)OCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-5-12(2,3)16-10-11-6-8-13(9-7-11)17(4,14)15/h11H,5-10H2,1-4H3
InChIKeyVQLJWZXAHHBEQD-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.86
Rot. Bonds5

About 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine

4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine (PubChem CID 71244259) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine
PubChem CID71244259
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine
SMILESCCC(C)(C)OCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-5-12(2,3)16-10-11-6-8-13(9-7-11)17(4,14)15/h11H,5-10H2,1-4H3
InChIKeyVQLJWZXAHHBEQD-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine (CID 71244259) is 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine is CCC(C)(C)OCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine?
The InChIKey is VQLJWZXAHHBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-5-12(2,3)16-10-11-6-8-13(9-7-11)17(4,14)15/h11H,5-10H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine?
4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine has a molecular weight of 263.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 71244259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).