3-methoxy-4-methyl-1-methylsulfonylpiperidine

C8H17NO3S — CID 102675615

IUPAC3-methoxy-4-methyl-1-methylsulfonylpiperidine
SMILESCOC1CN(S(C)(=O)=O)CCC1C
InChIInChI=1S/C8H17NO3S/c1-7-4-5-9(13(3,10)11)6-8(7)12-2/h7-8H,4-6H2,1-3H3
InChIKeyKEXDLBYNVOBWHJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.30
Rot. Bonds2

About 3-methoxy-4-methyl-1-methylsulfonylpiperidine

3-methoxy-4-methyl-1-methylsulfonylpiperidine (PubChem CID 102675615) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-methoxy-4-methyl-1-methylsulfonylpiperidine
PubChem CID102675615
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-methoxy-4-methyl-1-methylsulfonylpiperidine
SMILESCOC1CN(S(C)(=O)=O)CCC1C
InChIInChI=1S/C8H17NO3S/c1-7-4-5-9(13(3,10)11)6-8(7)12-2/h7-8H,4-6H2,1-3H3
InChIKeyKEXDLBYNVOBWHJ-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Ethoxymethyl)-1-methylsulfonylpiperidine
CID 72015221
1-Methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450253
1-(3-Fluoro-4-methylpiperidin-1-yl)propan-2-yl methanesulfonate
CID 157714134
2-(2,2-Dimethylpropyl)-4-methylsulfonylmorpholine
CID 20792993
3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
4-(Methoxymethyl)-1-(methylsulfonyl)piperidine
CID 57580422
3-Methoxy-1-methyl-4-(methylsulfonylmethyl)piperidine
CID 58035214
4-Methylsulfonyl-2-propan-2-ylmorpholine
CID 58469106
3-Methoxy-1-methylsulfonylpiperidine
CID 58826606
1-Ethylsulfonyl-4-(methoxymethyl)piperidine
CID 63999264
2-Methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 66617815
1-Methylsulfonyl-4-(propan-2-yloxymethyl)piperidine
CID 68267272

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1-methylsulfonylpiperidine?
The IUPAC name of 3-methoxy-4-methyl-1-methylsulfonylpiperidine (CID 102675615) is 3-methoxy-4-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-methoxy-4-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for 3-methoxy-4-methyl-1-methylsulfonylpiperidine is COC1CN(S(C)(=O)=O)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-1-methylsulfonylpiperidine?
The InChIKey is KEXDLBYNVOBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-4-5-9(13(3,10)11)6-8(7)12-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-4-methyl-1-methylsulfonylpiperidine?
3-methoxy-4-methyl-1-methylsulfonylpiperidine has a molecular weight of 207.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 102675615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).