N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine

C10H18N2O3S — CID 65187355

IUPACN-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCNCCCc1ncc(CS(C)(=O)=O)o1
InChIInChI=1S/C10H18N2O3S/c1-3-11-6-4-5-10-12-7-9(15-10)8-16(2,13)14/h7,11H,3-6,8H2,1-2H3
InChIKeyVGQJWFLSDFXUFG-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.76
Rot. Bonds7

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

N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65187355) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65187355
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCNCCCc1ncc(CS(C)(=O)=O)o1
InChIInChI=1S/C10H18N2O3S/c1-3-11-6-4-5-10-12-7-9(15-10)8-16(2,13)14/h7,11H,3-6,8H2,1-2H3
InChIKeyVGQJWFLSDFXUFG-UHFFFAOYSA-N
XLogP0.76
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65187355) is N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine is CCNCCCc1ncc(CS(C)(=O)=O)o1.
What is the InChIKey of N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is VGQJWFLSDFXUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-11-6-4-5-10-12-7-9(15-10)8-16(2,13)14/h7,11H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 246.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65187355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).