N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C13H15N3O4S2 — CID 2948212

IUPACN-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccon1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H15N3O4S2/c17-13(14-11-5-8-20-15-11)10-3-6-16(7-4-10)22(18,19)12-2-1-9-21-12/h1-2,5,8-10H,3-4,6-7H2,(H,14,15,17)
InChIKeyJCLCCSLHNSDJPH-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.78
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2948212) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2948212
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccon1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H15N3O4S2/c17-13(14-11-5-8-20-15-11)10-3-6-16(7-4-10)22(18,19)12-2-1-9-21-12/h1-2,5,8-10H,3-4,6-7H2,(H,14,15,17)
InChIKeyJCLCCSLHNSDJPH-UHFFFAOYSA-N
XLogP1.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330578
N1-(isoxazol-3-yl)-N2-(2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 45553796
N-3-isoxazolyl-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 6503259
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503384
4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503552
1-((5-chlorothiophen-2-yl)sulfonyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide
CID 7614777
4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 8042794
4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 8042795
[2-(1,2-Oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 16579424
N-(1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 17565041
(2S)-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 24315144
N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 44027240

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2948212) is N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccon1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JCLCCSLHNSDJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c17-13(14-11-5-8-20-15-11)10-3-6-16(7-4-10)22(18,19)12-2-1-9-21-12/h1-2,5,8-10H,3-4,6-7H2,(H,14,15,17).
What are the key properties of N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2948212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).