ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C12H17NO4S2 — CID 735914

IUPACethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NO4S2/c1-2-17-12(14)10-5-7-13(8-6-10)19(15,16)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyCHBYTQYWXGQXFU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds4

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

ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 735914) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID735914
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Nameethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NO4S2/c1-2-17-12(14)10-5-7-13(8-6-10)19(15,16)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyCHBYTQYWXGQXFU-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 735914) is ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is CHBYTQYWXGQXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-2-17-12(14)10-5-7-13(8-6-10)19(15,16)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 735914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).