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

C10H18N2O3S — CID 65181793

IUPACN-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNC(C)c1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C10H18N2O3S/c1-7(11-4)9-12-6-8(15-9)10(2,3)16(5,13)14/h6-7,11H,1-5H3
InChIKeyKLFQLUQKRQWCKM-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.23
Rot. Bonds4

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

N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181793) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181793
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNC(C)c1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C10H18N2O3S/c1-7(11-4)9-12-6-8(15-9)10(2,3)16(5,13)14/h6-7,11H,1-5H3
InChIKeyKLFQLUQKRQWCKM-UHFFFAOYSA-N
XLogP1.23
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65181793) is N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine is CNC(C)c1ncc(C(C)(C)S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is KLFQLUQKRQWCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7(11-4)9-12-6-8(15-9)10(2,3)16(5,13)14/h6-7,11H,1-5H3.
What are the key properties of N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine?
N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 246.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).