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

C13H18N4O3S — CID 106419948

IUPAC4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCc2nc(C)no2)cc1
InChIInChI=1S/C13H18N4O3S/c1-10-16-13(20-17-10)7-8-15-21(18,19)12-5-3-11(4-6-12)9-14-2/h3-6,14-15H,7-9H2,1-2H3
InChIKeyPRGSVIBFUZSNLM-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.62
Rot. Bonds7

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

4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106419948) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106419948
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCc2nc(C)no2)cc1
InChIInChI=1S/C13H18N4O3S/c1-10-16-13(20-17-10)7-8-15-21(18,19)12-5-3-11(4-6-12)9-14-2/h3-6,14-15H,7-9H2,1-2H3
InChIKeyPRGSVIBFUZSNLM-UHFFFAOYSA-N
XLogP0.62
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106421967
4-(cyanomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79186636
3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413793
4-chloro-3-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106423534
N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 97065389
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
3-amino-5-chloro-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413778
4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54935180
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 113228525
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
CID 106423734
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106419948) is 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCCc2nc(C)no2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is PRGSVIBFUZSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-10-16-13(20-17-10)7-8-15-21(18,19)12-5-3-11(4-6-12)9-14-2/h3-6,14-15H,7-9H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106419948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).