3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine

C10H21NO3S — CID 21061561

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
SMILESCC(C)(C)OC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-9-6-5-7-11(8-9)15(4,12)13/h9H,5-8H2,1-4H3
InChIKeyFBSJDJJECWYASJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine

3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine (PubChem CID 21061561) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
PubChem CID21061561
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
SMILESCC(C)(C)OC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-9-6-5-7-11(8-9)15(4,12)13/h9H,5-8H2,1-4H3
InChIKeyFBSJDJJECWYASJ-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

2-(2,2-Dimethylpropyl)-4-methylsulfonylmorpholine
CID 20792993
4-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061563
N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 58035116
4-Methylsulfonyl-2-propan-2-ylmorpholine
CID 58469106
3-Methoxy-1-methylsulfonylpiperidine
CID 58826606
1-Methylsulfonyl-4-(propan-2-yloxymethyl)piperidine
CID 68267272
4-[(2-Methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine
CID 69097624
5-Methyl-7-methylsulfonyl-4-oxa-7-azaspiro[2.5]octane
CID 70939490
8-Methyl-4-methylsulfonyl-1,4-oxazocane
CID 70939556
(8S)-8-methyl-4-methylsulfonyl-1,4-oxazocane
CID 70939579
2-(2-Methylpropyl)-4-methylsulfonylmorpholine
CID 71221078
4-(2-Methylbutan-2-yloxymethyl)-1-methylsulfonylpiperidine
CID 71244259

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine (CID 21061561) is 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine is CC(C)(C)OC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
The InChIKey is FBSJDJJECWYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)14-9-6-5-7-11(8-9)15(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine?
3-[(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 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine is sourced from PubChem (CID 21061561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).