4-methoxy-1-methylsulfonylpiperidine

C7H15NO3S — CID 5136335

IUPAC4-methoxy-1-methylsulfonylpiperidine
SMILESCOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeyVWPGEEYAFJUKQJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds2

About 4-methoxy-1-methylsulfonylpiperidine

4-methoxy-1-methylsulfonylpiperidine (PubChem CID 5136335) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-methoxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-methoxy-1-methylsulfonylpiperidine
PubChem CID5136335
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-methoxy-1-methylsulfonylpiperidine
SMILESCOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeyVWPGEEYAFJUKQJ-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpiperidin-4-ol
CID 22272981
4-Methoxypiperidine-1-sulfonyl fluoride
CID 135564433
1-Methylpiperidin-4-yl methanesulfonate
CID 4190681
Piperidin-4-yl methanesulfonate
CID 20184466
4-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061563
1-(Methylsulfonyl)piperidin-4-yl methanesulfonate
CID 22273065
4-Methoxypiperidine-1-sulfonyl chloride
CID 22276816
4-Methoxypiperidine-1-sulfonamide
CID 43244070
4-Methoxy-1-propylsulfonylpiperidine
CID 49719406
1-Methylsulfonyl-4-propan-2-yloxypiperidine
CID 57562792
1-(Chloromethylsulfonyl)-4-methoxypiperidine
CID 58168414
3-Methoxy-1-methylsulfonylpiperidine
CID 58826606

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylsulfonylpiperidine?
The IUPAC name of 4-methoxy-1-methylsulfonylpiperidine (CID 5136335) is 4-methoxy-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-methoxy-1-methylsulfonylpiperidine?
The canonical SMILES for 4-methoxy-1-methylsulfonylpiperidine is COC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methoxy-1-methylsulfonylpiperidine?
The InChIKey is VWPGEEYAFJUKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-1-methylsulfonylpiperidine?
4-methoxy-1-methylsulfonylpiperidine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 5136335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).