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

C13H20N2O4S — CID 102704728

IUPAC4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC1(C)CCOC1
InChIInChI=1S/C13H20N2O4S/c1-13(5-6-19-9-13)15-20(16,17)12-4-3-10(8-14)7-11(12)18-2/h3-4,7,15H,5-6,8-9,14H2,1-2H3
InChIKeyWUZPWWZKVGIJSO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.61
Rot. Bonds5

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

4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 102704728) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
PubChem CID102704728
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC1(C)CCOC1
InChIInChI=1S/C13H20N2O4S/c1-13(5-6-19-9-13)15-20(16,17)12-4-3-10(8-14)7-11(12)18-2/h3-4,7,15H,5-6,8-9,14H2,1-2H3
InChIKeyWUZPWWZKVGIJSO-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

4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896516
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 102704632
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide (CID 102704728) is 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NC1(C)CCOC1.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is WUZPWWZKVGIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(5-6-19-9-13)15-20(16,17)12-4-3-10(8-14)7-11(12)18-2/h3-4,7,15H,5-6,8-9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(3-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 4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 102704728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).