2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

C13H20N2O3S — CID 106076318

IUPAC2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H20N2O3S/c1-10-12(7-8-18-10)15-19(16,17)13-6-4-3-5-11(13)9-14-2/h3-6,10,12,14-15H,7-9H2,1-2H3
InChIKeyWVHKHIQTOLINJC-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.86
Rot. Bonds5

About 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 106076318) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID106076318
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H20N2O3S/c1-10-12(7-8-18-10)15-19(16,17)13-6-4-3-5-11(13)9-14-2/h3-6,10,12,14-15H,7-9H2,1-2H3
InChIKeyWVHKHIQTOLINJC-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076311
2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072868
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
2-[(2-methyloxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 82728362
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106064198
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076129

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 106076318) is 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is WVHKHIQTOLINJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-12(7-8-18-10)15-19(16,17)13-6-4-3-5-11(13)9-14-2/h3-6,10,12,14-15H,7-9H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).