3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

C14H19N3O3S — CID 106390169

IUPAC3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(C)c(CN)c2)o1
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-13(6-12(9)7-15)21(18,19)17-11(3)14-16-8-10(2)20-14/h4-6,8,11,17H,7,15H2,1-3H3
InChIKeyQSQGQIUUYGXJDF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.79
Rot. Bonds5

About 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106390169) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106390169
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(C)c(CN)c2)o1
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-13(6-12(9)7-15)21(18,19)17-11(3)14-16-8-10(2)20-14/h4-6,8,11,17H,7,15H2,1-3H3
InChIKeyQSQGQIUUYGXJDF-UHFFFAOYSA-N
XLogP1.79
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 106036342
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947097
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106389555
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711
5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390084
5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 106388977

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 106390169) is 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2ccc(C)c(CN)c2)o1.
What is the InChIKey of 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QSQGQIUUYGXJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-4-5-13(6-12(9)7-15)21(18,19)17-11(3)14-16-8-10(2)20-14/h4-6,8,11,17H,7,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106390169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).