ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate

C16H28N2O5S — CID 3238413

IUPACethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
InChIInChI=1S/C16H28N2O5S/c1-3-23-16(20)14-5-9-17(10-6-14)15(19)13-7-11-18(12-8-13)24(21,22)4-2/h13-14H,3-12H2,1-2H3
InChIKeyIYWBGMVYWJCUIW-UHFFFAOYSA-N
MW360.48 g/mol
LogP0.85
Rot. Bonds5

About ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 3238413) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID3238413
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC Nameethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
InChIInChI=1S/C16H28N2O5S/c1-3-23-16(20)14-5-9-17(10-6-14)15(19)13-7-11-18(12-8-13)24(21,22)4-2/h13-14H,3-12H2,1-2H3
InChIKeyIYWBGMVYWJCUIW-UHFFFAOYSA-N
XLogP0.85
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate (CID 3238413) is ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1.
What is the InChIKey of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is IYWBGMVYWJCUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S/c1-3-23-16(20)14-5-9-17(10-6-14)15(19)13-7-11-18(12-8-13)24(21,22)4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 360.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 3238413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).