3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide

C13H20N2O4S — CID 106076121

IUPAC3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2C)cc1CN
InChIInChI=1S/C13H20N2O4S/c1-9-12(5-6-19-9)15-20(16,17)11-3-4-13(18-2)10(7-11)8-14/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyAYEUXHHXYDZXQY-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.61
Rot. Bonds5

About 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide

3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 106076121) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID106076121
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2C)cc1CN
InChIInChI=1S/C13H20N2O4S/c1-9-12(5-6-19-9)15-20(16,17)11-3-4-13(18-2)10(7-11)8-14/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyAYEUXHHXYDZXQY-UHFFFAOYSA-N
XLogP0.61
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089862
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260
4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335
5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 106076278
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076129
4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729356

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 106076121) is 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCOC2C)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is AYEUXHHXYDZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-12(5-6-19-9)15-20(16,17)11-3-4-13(18-2)10(7-11)8-14/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide?
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106076121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).