4-ethylsulfonyl-4-(methoxymethyl)piperidine

C9H19NO3S — CID 99997180

IUPAC4-ethylsulfonyl-4-(methoxymethyl)piperidine
SMILESCCS(=O)(=O)C1(COC)CCNCC1
InChIInChI=1S/C9H19NO3S/c1-3-14(11,12)9(8-13-2)4-6-10-7-5-9/h10H,3-8H2,1-2H3
InChIKeyZNTLCMGFCXFLCJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.19
Rot. Bonds4

About 4-ethylsulfonyl-4-(methoxymethyl)piperidine

4-ethylsulfonyl-4-(methoxymethyl)piperidine (PubChem CID 99997180) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-ethylsulfonyl-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name4-ethylsulfonyl-4-(methoxymethyl)piperidine
PubChem CID99997180
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-ethylsulfonyl-4-(methoxymethyl)piperidine
SMILESCCS(=O)(=O)C1(COC)CCNCC1
InChIInChI=1S/C9H19NO3S/c1-3-14(11,12)9(8-13-2)4-6-10-7-5-9/h10H,3-8H2,1-2H3
InChIKeyZNTLCMGFCXFLCJ-UHFFFAOYSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
2-(4-methylsulfonylpiperidin-4-yl)acetic acid
CID 84686759
2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896619
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896019
[4-(methoxymethyl)piperidin-4-yl]methanol;hydrochloride
CID 126569824
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
2-(diethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891332
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
3-(methoxymethyl)pyrrolidine-3-carbaldehyde
CID 167739739
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-4-(methoxymethyl)piperidine?
The IUPAC name of 4-ethylsulfonyl-4-(methoxymethyl)piperidine (CID 99997180) is 4-ethylsulfonyl-4-(methoxymethyl)piperidine.
What is the SMILES notation for 4-ethylsulfonyl-4-(methoxymethyl)piperidine?
The canonical SMILES for 4-ethylsulfonyl-4-(methoxymethyl)piperidine is CCS(=O)(=O)C1(COC)CCNCC1.
What is the InChIKey of 4-ethylsulfonyl-4-(methoxymethyl)piperidine?
The InChIKey is ZNTLCMGFCXFLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-14(11,12)9(8-13-2)4-6-10-7-5-9/h10H,3-8H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-4-(methoxymethyl)piperidine?
4-ethylsulfonyl-4-(methoxymethyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-4-(methoxymethyl)piperidine is sourced from PubChem (CID 99997180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).