ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate

C11H21NO4S — CID 21334237

IUPACethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H21NO4S/c1-4-16-11(13)10-5-7-12(8-6-10)17(14,15)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyPMYXSRRXJJQXFK-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.00
Rot. Bonds4

About ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate

ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 21334237) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID21334237
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H21NO4S/c1-4-16-11(13)10-5-7-12(8-6-10)17(14,15)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyPMYXSRRXJJQXFK-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate (CID 21334237) is ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is PMYXSRRXJJQXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-16-11(13)10-5-7-12(8-6-10)17(14,15)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate?
ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 21334237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).