2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine

C12H22N2O3S — CID 65184127

IUPAC2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C12H22N2O3S/c1-11(2,3)14-8-10-13-7-9(17-10)12(4,5)18(6,15)16/h7,14H,8H2,1-6H3
InChIKeyYSRRRWFKRAWEFQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65184127) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65184127
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C12H22N2O3S/c1-11(2,3)14-8-10-13-7-9(17-10)12(4,5)18(6,15)16/h7,14H,8H2,1-6H3
InChIKeyYSRRRWFKRAWEFQ-UHFFFAOYSA-N
XLogP1.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65184127) is 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1ncc(C(C)(C)S(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is YSRRRWFKRAWEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-11(2,3)14-8-10-13-7-9(17-10)12(4,5)18(6,15)16/h7,14H,8H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65184127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).