1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone

C10H19NO2S — CID 158847612

IUPAC1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone
SMILESCOCN1CCC(C(=O)CSC)CC1
InChIInChI=1S/C10H19NO2S/c1-13-8-11-5-3-9(4-6-11)10(12)7-14-2/h9H,3-8H2,1-2H3
InChIKeyCZBFRRDLVNPFSN-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.23
Rot. Bonds5

About 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone

1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone (PubChem CID 158847612) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone
PubChem CID158847612
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone
SMILESCOCN1CCC(C(=O)CSC)CC1
InChIInChI=1S/C10H19NO2S/c1-13-8-11-5-3-9(4-6-11)10(12)7-14-2/h9H,3-8H2,1-2H3
InChIKeyCZBFRRDLVNPFSN-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methoxymethyl)piperidine-4-carboxamide
CID 78225485
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
CID 64775004
1,4-bis(methoxymethyl)piperazine
CID 15759078
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
1-(methoxymethyl)-4-propylpiperidine
CID 18738071
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
tert-butyl 4-[[1-(methoxymethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761030
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-cyclopropyl-2-ethylsulfanylethanone
CID 63907128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone?
The IUPAC name of 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone (CID 158847612) is 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone.
What is the SMILES notation for 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone?
The canonical SMILES for 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone is COCN1CCC(C(=O)CSC)CC1.
What is the InChIKey of 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone?
The InChIKey is CZBFRRDLVNPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-13-8-11-5-3-9(4-6-11)10(12)7-14-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone?
1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone has a molecular weight of 217.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone is sourced from PubChem (CID 158847612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).