4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine

C11H23NO3S — CID 69097624

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine
SMILESCC(C)(C)OCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-11(2,3)15-9-10-5-7-12(8-6-10)16(4,13)14/h10H,5-9H2,1-4H3
InChIKeyNDTMAEHJMATAIT-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.47
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine

4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine (PubChem CID 69097624) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine
PubChem CID69097624
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine
SMILESCC(C)(C)OCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-11(2,3)15-9-10-5-7-12(8-6-10)16(4,13)14/h10H,5-9H2,1-4H3
InChIKeyNDTMAEHJMATAIT-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Ethoxymethyl)-1-methylsulfonylpiperidine
CID 72015221
1-(Cyclopropylsulfonyl)-4-(methoxymethyl)piperidine
CID 71782917
1-Methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450253
4-(2-Methoxyethoxymethyl)-1-methylsulfonylpiperidine
CID 49670848
1-Methylsulfonyl-4-(prop-2-ynoxymethyl)piperidine
CID 49670850
1-Propylsulfonyl-4-(prop-2-ynoxymethyl)piperidine
CID 49670851
N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 21034326
3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
4-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061563
4-(Methoxymethyl)-1-(methylsulfonyl)piperidine
CID 57580422
1-Methyl-4-piperidinemethanol 4-methanesulfonate
CID 57810156
1-Ethylsulfonyl-4-(methoxymethyl)piperidine
CID 63999264

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine (CID 69097624) is 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine is CC(C)(C)OCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine?
The InChIKey is NDTMAEHJMATAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,3)15-9-10-5-7-12(8-6-10)16(4,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine?
4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine has a molecular weight of 249.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 69097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).