methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate

C10H19NO3S — CID 166152765

IUPACmethyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCOSC)CC1
InChIInChI=1S/C10H19NO3S/c1-13-10(12)9-3-5-11(6-4-9)7-8-14-15-2/h9H,3-8H2,1-2H3
InChIKeyQSSZEBUTXSINHV-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.17
Rot. Bonds5

About methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate

methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate (PubChem CID 166152765) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
PubChem CID166152765
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCOSC)CC1
InChIInChI=1S/C10H19NO3S/c1-13-10(12)9-3-5-11(6-4-9)7-8-14-15-2/h9H,3-8H2,1-2H3
InChIKeyQSSZEBUTXSINHV-UHFFFAOYSA-N
XLogP1.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-[4-(2-methylsulfanyloxyethyl)piperazin-1-yl]ethanone
CID 123363082
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
methyl (3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylate
CID 121475314

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate (CID 166152765) is methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCOSC)CC1.
What is the InChIKey of methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate?
The InChIKey is QSSZEBUTXSINHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-13-10(12)9-3-5-11(6-4-9)7-8-14-15-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate?
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate has a molecular weight of 233.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 166152765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).