3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine

C9H19NO3S — CID 58035214

IUPAC3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine
SMILESCOC1CN(C)CCC1CS(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-10-5-4-8(7-14(3,11)12)9(6-10)13-2/h8-9H,4-7H2,1-3H3
InChIKeyCTPHQLMMLPJKFP-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.00
Rot. Bonds3

About 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine

3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine (PubChem CID 58035214) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine
PubChem CID58035214
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine
SMILESCOC1CN(C)CCC1CS(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-10-5-4-8(7-14(3,11)12)9(6-10)13-2/h8-9H,4-7H2,1-3H3
InChIKeyCTPHQLMMLPJKFP-UHFFFAOYSA-N
XLogP-0.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Isopropoxymethyl)-1-[2-(methylsulfonyl)ethyl]piperidine
CID 131947962
1-[1-(2-Methylsulfonylethyl)piperidin-4-yl]ethanol
CID 59861759
(1-Ethyl-4-methylpiperidin-3-yl) methanesulfonate
CID 90985497
(1,4-Dimethylpiperidin-3-yl) methanesulfonate
CID 91390348
3-Methoxy-4-methyl-1-methylsulfonylpiperidine
CID 102675615
4-(Methoxymethyl)-1-(2-methylsulfonylethyl)piperidine
CID 155039129
(3S,4R)-3-methoxy-4-methyl-1-methylsulfonylpiperidine
CID 169948161
(3R,4S)-3-methoxy-4-methyl-1-methylsulfonylpiperidine
CID 169948162
1-[4-[[Methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 53592751
1-[4-[[Methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 53593475
(2S)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95313454
(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95313455

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine?
The IUPAC name of 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine (CID 58035214) is 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine is COC1CN(C)CCC1CS(C)(=O)=O.
What is the InChIKey of 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine?
The InChIKey is CTPHQLMMLPJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10-5-4-8(7-14(3,11)12)9(6-10)13-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine?
3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 58035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).