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

C10H21NO3S — CID 21061563

IUPAC4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
SMILESCC(C)(C)OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-9-5-7-11(8-6-9)15(4,12)13/h9H,5-8H2,1-4H3
InChIKeyIDDONBRUEVIRFX-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds2

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

4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine (PubChem CID 21061563) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
PubChem CID21061563
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
SMILESCC(C)(C)OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-9-5-7-11(8-6-9)15(4,12)13/h9H,5-8H2,1-4H3
InChIKeyIDDONBRUEVIRFX-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-1-(methylsulfonyl)piperidine
CID 5136335
3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
(1-Tert-butylpiperidin-4-yl) methanesulfonate
CID 23532646
4-Methoxy-1-propylsulfonylpiperidine
CID 49719406
1-Methylsulfonyl-4-propan-2-yloxypiperidine
CID 57562792
4-[(2-Methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine
CID 58365068
4-Ethoxy-1-methylsulfonylpiperidine
CID 61222777
1-Methylsulfonyl-4-(propan-2-yloxymethyl)piperidine
CID 68267272
4-[(2-Methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine
CID 69097624
4-[(But-2-yn-1-yl)oxy]-1-(methanesulfonyl)piperidine
CID 69620167
4-(2-Methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine
CID 71244259
1-Methylsulfonyl-4-sulfanyloxypiperidine
CID 89903615

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine (CID 21061563) is 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine is CC(C)(C)OC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
The InChIKey is IDDONBRUEVIRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)14-9-5-7-11(8-6-9)15(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine has a molecular weight of 235.35 g/mol, XLogP of 1.23, 2 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)oxy]-1-methylsulfonylpiperidine is sourced from PubChem (CID 21061563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).