N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine

C13H23N3O3S — CID 75379910

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCc1nc(CN(C)C2CCN(S(C)(=O)=O)CC2)oc1C
InChIInChI=1S/C13H23N3O3S/c1-10-11(2)19-13(14-10)9-15(3)12-5-7-16(8-6-12)20(4,17)18/h12H,5-9H2,1-4H3
InChIKeyYEIQJZRUHYHCAC-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.15
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 75379910) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
PubChem CID75379910
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCc1nc(CN(C)C2CCN(S(C)(=O)=O)CC2)oc1C
InChIInChI=1S/C13H23N3O3S/c1-10-11(2)19-13(14-10)9-15(3)12-5-7-16(8-6-12)20(4,17)18/h12H,5-9H2,1-4H3
InChIKeyYEIQJZRUHYHCAC-UHFFFAOYSA-N
XLogP1.15
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine (CID 75379910) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine is Cc1nc(CN(C)C2CCN(S(C)(=O)=O)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is YEIQJZRUHYHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-11(2)19-13(14-10)9-15(3)12-5-7-16(8-6-12)20(4,17)18/h12H,5-9H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 301.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 75379910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).