3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C12H15N3O3S — CID 106423936

IUPAC3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccno2)cc1CN
InChIInChI=1S/C12H15N3O3S/c1-9-2-3-12(6-10(9)7-13)19(16,17)15-8-11-4-5-14-18-11/h2-6,15H,7-8,13H2,1H3
InChIKeyWKYAZJQPZSURMV-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.92
Rot. Bonds5

About 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106423936) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106423936
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccno2)cc1CN
InChIInChI=1S/C12H15N3O3S/c1-9-2-3-12(6-10(9)7-13)19(16,17)15-8-11-4-5-14-18-11/h2-6,15H,7-8,13H2,1H3
InChIKeyWKYAZJQPZSURMV-UHFFFAOYSA-N
XLogP0.92
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423882
3-(hydroxymethyl)-4-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423599
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106055024
3-(aminomethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411175
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
3-(aminomethyl)-4-methyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 114141448
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106419481

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106423936) is 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccno2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is WKYAZJQPZSURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-2-3-12(6-10(9)7-13)19(16,17)15-8-11-4-5-14-18-11/h2-6,15H,7-8,13H2,1H3.
What are the key properties of 3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.92, 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-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106423936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).