[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C15H17N3O6S2 — CID 16579424

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccon1
InChIInChI=1S/C15H17N3O6S2/c19-13(16-12-5-8-24-17-12)10-23-15(20)11-3-6-18(7-4-11)26(21,22)14-2-1-9-25-14/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,16,17,19)
InChIKeyXCMKTFDUYZRZKS-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.32
Rot. Bonds6

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 16579424) has the molecular formula C15H17N3O6S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID16579424
Molecular FormulaC15H17N3O6S2
Molecular Weight399.45 g/mol
Exact Mass399.06
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccon1
InChIInChI=1S/C15H17N3O6S2/c19-13(16-12-5-8-24-17-12)10-23-15(20)11-3-6-18(7-4-11)26(21,22)14-2-1-9-25-14/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,16,17,19)
InChIKeyXCMKTFDUYZRZKS-UHFFFAOYSA-N
XLogP1.32
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 16579424) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is XCMKTFDUYZRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S2/c19-13(16-12-5-8-24-17-12)10-23-15(20)11-3-6-18(7-4-11)26(21,22)14-2-1-9-25-14/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,16,17,19).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 16579424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).