5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole

C16H22N2O4S2 — CID 70729430

IUPAC5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
SMILESCOCCCC1CCCCN1S(=O)(=O)c1cc(-c2ccno2)cs1
InChIInChI=1S/C16H22N2O4S2/c1-21-10-4-6-14-5-2-3-9-18(14)24(19,20)16-11-13(12-23-16)15-7-8-17-22-15/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyACHZUKCUQMJYGS-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.37
Rot. Bonds7

About 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole

5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole (PubChem CID 70729430) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
PubChem CID70729430
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Name5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
SMILESCOCCCC1CCCCN1S(=O)(=O)c1cc(-c2ccno2)cs1
InChIInChI=1S/C16H22N2O4S2/c1-21-10-4-6-14-5-2-3-9-18(14)24(19,20)16-11-13(12-23-16)15-7-8-17-22-15/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyACHZUKCUQMJYGS-UHFFFAOYSA-N
XLogP3.37
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole
CID 70734533
5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
5-[(2S)-1-[4-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131904930
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53127217
(2R)-2-(3-methoxypropyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 164640382
3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
CID 95092750
2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 104710716
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
CID 83046357
1-butyl-5-[2-(3-methoxypropyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 71582975
N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 18574464
2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
CID 95092794

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
The IUPAC name of 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole (CID 70729430) is 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole is COCCCC1CCCCN1S(=O)(=O)c1cc(-c2ccno2)cs1.
What is the InChIKey of 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
The InChIKey is ACHZUKCUQMJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-21-10-4-6-14-5-2-3-9-18(14)24(19,20)16-11-13(12-23-16)15-7-8-17-22-15/h7-8,11-12,14H,2-6,9-10H2,1H3.
What are the key properties of 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole has a molecular weight of 370.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole is sourced from PubChem (CID 70729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).