2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

C14H20N2O3S — CID 106072868

IUPAC2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H20N2O3S/c1-15-9-10-4-2-3-5-14(10)20(17,18)16-12-8-11-6-7-13(12)19-11/h2-5,11-13,15-16H,6-9H2,1H3
InChIKeyRAPXTGCZWSXDJN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.00
Rot. Bonds5

About 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (PubChem CID 106072868) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
PubChem CID106072868
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H20N2O3S/c1-15-9-10-4-2-3-5-14(10)20(17,18)16-12-8-11-6-7-13(12)19-11/h2-5,11-13,15-16H,6-9H2,1H3
InChIKeyRAPXTGCZWSXDJN-UHFFFAOYSA-N
XLogP1.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-6-[1-(oxolan-2-yl)ethylsulfamoyl]benzenecarbothioamide
CID 64130551
2-(aminomethyl)-3-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 64133019
2-fluoro-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 65800836
4-fluoro-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 65801048
2-fluoro-4-(methylaminomethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 79190319
2-(aminomethyl)-3-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715331
3-(aminomethyl)-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715693
2-Fluoro-5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzenecarbothioamide
CID 80716167
2-Fluoro-6-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzenecarbothioamide
CID 80716169
2-(aminomethyl)-3-fluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82726375
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82734548
4-fluoro-N-methyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748244

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (CID 106072868) is 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The InChIKey is RAPXTGCZWSXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15-9-10-4-2-3-5-14(10)20(17,18)16-12-8-11-6-7-13(12)19-11/h2-5,11-13,15-16H,6-9H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106072868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).