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

C9H16N2O3S — CID 60920492

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
SMILESCc1noc(C)c1CNCCS(C)(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-7-9(8(2)14-11-7)6-10-4-5-15(3,12)13/h10H,4-6H2,1-3H3
InChIKeyWIZMOJUMVQFZNQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.43
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine (PubChem CID 60920492) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
PubChem CID60920492
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
SMILESCc1noc(C)c1CNCCS(C)(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-7-9(8(2)14-11-7)6-10-4-5-15(3,12)13/h10H,4-6H2,1-3H3
InChIKeyWIZMOJUMVQFZNQ-UHFFFAOYSA-N
XLogP0.43
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.43
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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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 119151628
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)propane-1-sulfonamide
CID 79238152
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(methylsulfonimidoyl)methanamine
CID 164644358
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylsulfonylpropanamide
CID 131925760
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine (CID 60920492) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine is Cc1noc(C)c1CNCCS(C)(=O)=O.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine?
The InChIKey is WIZMOJUMVQFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7-9(8(2)14-11-7)6-10-4-5-15(3,12)13/h10H,4-6H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine has a molecular weight of 232.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 60920492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).