2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C13H20N2O3S — CID 82735715

IUPAC2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C13H20N2O3S/c1-10-12(7-8-18-10)15(2)19(16,17)13-6-4-3-5-11(13)9-14/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyDGCCPSLVSRQYHF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82735715) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82735715
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C13H20N2O3S/c1-10-12(7-8-18-10)15(2)19(16,17)13-6-4-3-5-11(13)9-14/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyDGCCPSLVSRQYHF-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82735715) is 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1N(C)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is DGCCPSLVSRQYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-12(7-8-18-10)15(2)19(16,17)13-6-4-3-5-11(13)9-14/h3-6,10,12H,7-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82735715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).