2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

C14H19N3O3S — CID 106387542

IUPAC2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)o1
InChIInChI=1S/C14H19N3O3S/c1-8-5-6-9(2)13(12(8)15)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,15H2,1-4H3
InChIKeyZQMGFIUYHGYLAT-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.22
Rot. Bonds4

About 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106387542) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106387542
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)o1
InChIInChI=1S/C14H19N3O3S/c1-8-5-6-9(2)13(12(8)15)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,15H2,1-4H3
InChIKeyZQMGFIUYHGYLAT-UHFFFAOYSA-N
XLogP2.22
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103171734
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947083
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106389555
5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 106388977
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106388542
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 106387542) is 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)o1.
What is the InChIKey of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is ZQMGFIUYHGYLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8-5-6-9(2)13(12(8)15)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,15H2,1-4H3.
What are the key properties of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106387542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).