(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

C16H21N3O5S2 — CID 55563474

IUPAC(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
SMILESCCCc1noc(COC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)n1
InChIInChI=1S/C16H21N3O5S2/c1-2-5-13-17-14(24-18-13)11-23-16(20)12-6-3-8-19(10-12)26(21,22)15-7-4-9-25-15/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3
InChIKeyJKEXVINYMSVACB-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.23
Rot. Bonds7

About (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate (PubChem CID 55563474) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
PubChem CID55563474
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
SMILESCCCc1noc(COC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)n1
InChIInChI=1S/C16H21N3O5S2/c1-2-5-13-17-14(24-18-13)11-23-16(20)12-6-3-8-19(10-12)26(21,22)15-7-4-9-25-15/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3
InChIKeyJKEXVINYMSVACB-UHFFFAOYSA-N
XLogP2.23
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425648
(4-cyanophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425432
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(7-methoxy-2-oxochromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425698
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132669499
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425866
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46528740

Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
The IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate (CID 55563474) is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
The canonical SMILES for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate is CCCc1noc(COC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)n1.
What is the InChIKey of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
The InChIKey is JKEXVINYMSVACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-2-5-13-17-14(24-18-13)11-23-16(20)12-6-3-8-19(10-12)26(21,22)15-7-4-9-25-15/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 55563474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).