4-tert-butyl-1-(methoxymethylsulfanyl)piperidine

C11H23NOS — CID 167097772

IUPAC4-tert-butyl-1-(methoxymethylsulfanyl)piperidine
SMILESCOCSN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23NOS/c1-11(2,3)10-5-7-12(8-6-10)14-9-13-4/h10H,5-9H2,1-4H3
InChIKeyCVEQYUZFGLPONF-UHFFFAOYSA-N
MW217.38 g/mol
LogP3.00
Rot. Bonds3

About 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine

4-tert-butyl-1-(methoxymethylsulfanyl)piperidine (PubChem CID 167097772) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(methoxymethylsulfanyl)piperidine
PubChem CID167097772
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-tert-butyl-1-(methoxymethylsulfanyl)piperidine
SMILESCOCSN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23NOS/c1-11(2,3)10-5-7-12(8-6-10)14-9-13-4/h10H,5-9H2,1-4H3
InChIKeyCVEQYUZFGLPONF-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine
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CID 174080990
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
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1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
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4-tert-butyl-1-(trideuteriomethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine (CID 167097772) is 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine is COCSN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine?
The InChIKey is CVEQYUZFGLPONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(2,3)10-5-7-12(8-6-10)14-9-13-4/h10H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine?
4-tert-butyl-1-(methoxymethylsulfanyl)piperidine has a molecular weight of 217.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(methoxymethylsulfanyl)piperidine is sourced from PubChem (CID 167097772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).