3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole

C10H16N2O3S — CID 2741503

IUPAC3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H16N2O3S/c1-8-10(9(2)15-11-8)16(13,14)12-6-4-3-5-7-12/h3-7H2,1-2H3
InChIKeyNJOBYSGFFTWWDK-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.47
Rot. Bonds2

About 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole

3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole (PubChem CID 2741503) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole
PubChem CID2741503
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H16N2O3S/c1-8-10(9(2)15-11-8)16(13,14)12-6-4-3-5-7-12/h3-7H2,1-2H3
InChIKeyNJOBYSGFFTWWDK-UHFFFAOYSA-N
XLogP1.47
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole (CID 2741503) is 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole?
The InChIKey is NJOBYSGFFTWWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-10(9(2)15-11-8)16(13,14)12-6-4-3-5-7-12/h3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole?
3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole has a molecular weight of 244.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-piperidin-1-ylsulfonyl-1,2-oxazole is sourced from PubChem (CID 2741503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).