ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

C16H20N2O5S2 — CID 20936254

IUPACethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)C1
InChIInChI=1S/C16H20N2O5S2/c1-3-22-16(19)12-5-4-8-18(10-12)25(20,21)15-7-6-14(24-15)13-9-11(2)17-23-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyMCLJQIJQYGQBOF-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.68
Rot. Bonds5

About ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate (PubChem CID 20936254) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate
PubChem CID20936254
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC Nameethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)C1
InChIInChI=1S/C16H20N2O5S2/c1-3-22-16(19)12-5-4-8-18(10-12)25(20,21)15-7-6-14(24-15)13-9-11(2)17-23-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyMCLJQIJQYGQBOF-UHFFFAOYSA-N
XLogP2.68
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate (CID 20936254) is ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)C1.
What is the InChIKey of ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate?
The InChIKey is MCLJQIJQYGQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-3-22-16(19)12-5-4-8-18(10-12)25(20,21)15-7-6-14(24-15)13-9-11(2)17-23-13/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate?
ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 20936254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).