3-methoxy-1-methylsulfonylpiperidine

C7H15NO3S — CID 58826606

IUPAC3-methoxy-1-methylsulfonylpiperidine
SMILESCOC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeyAICFFZKTZGOVPK-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds2

About 3-methoxy-1-methylsulfonylpiperidine

3-methoxy-1-methylsulfonylpiperidine (PubChem CID 58826606) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-methoxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-methoxy-1-methylsulfonylpiperidine
PubChem CID58826606
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-methoxy-1-methylsulfonylpiperidine
SMILESCOC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeyAICFFZKTZGOVPK-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-3-ol
CID 17918031
2,6-Dimethyl-4-(methylsulfonyl)morpholine
CID 3113472
4-Methoxy-1-(methylsulfonyl)piperidine
CID 5136335
3-Methoxypiperidine-1-sulfonyl fluoride
CID 135564426
1-Methylsulfonyl-3-(trifluoromethoxy)piperidine
CID 169117342
(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine
CID 669160
3-(Methylsulfonyl)-7-oxa-3-azabicyclo[4.1.0]heptane
CID 13042966
3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
Rac-4-azido-1-methanesulfonyl-3-methoxy-piperidine
CID 21070648
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-Methylpiperidin-3-yl methanesulfonate
CID 55266256
N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 58035116

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylsulfonylpiperidine?
The IUPAC name of 3-methoxy-1-methylsulfonylpiperidine (CID 58826606) is 3-methoxy-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-methoxy-1-methylsulfonylpiperidine?
The canonical SMILES for 3-methoxy-1-methylsulfonylpiperidine is COC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methoxy-1-methylsulfonylpiperidine?
The InChIKey is AICFFZKTZGOVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-1-methylsulfonylpiperidine?
3-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 3-methoxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 58826606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).