1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate

C10H19NO5S — CID 89333915

IUPAC1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCOC(C)OC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19NO5S/c1-8(15-2)16-10(12)9-4-6-11(7-5-9)17(3,13)14/h8-9H,4-7H2,1-3H3
InChIKeyKOWSVPJOEYTPAL-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.19
Rot. Bonds4

About 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate

1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate (PubChem CID 89333915) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate
PubChem CID89333915
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCOC(C)OC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19NO5S/c1-8(15-2)16-10(12)9-4-6-11(7-5-9)17(3,13)14/h8-9H,4-7H2,1-3H3
InChIKeyKOWSVPJOEYTPAL-UHFFFAOYSA-N
XLogP0.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate?
The IUPAC name of 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate (CID 89333915) is 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate is COC(C)OC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate?
The InChIKey is KOWSVPJOEYTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(15-2)16-10(12)9-4-6-11(7-5-9)17(3,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate?
1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 89333915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).