2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 106065308

IUPAC2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCNCc1cc(C)c(C)c(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-11-7-13(9-16-3)8-15(12(11)2)21(18,19)17-14-5-4-6-20-10-14/h7-8,14,16-17H,4-6,9-10H2,1-3H3
InChIKeyMOVZRDVAKILQJU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.48
Rot. Bonds5

About 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide

2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 106065308) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
PubChem CID106065308
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCNCc1cc(C)c(C)c(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-11-7-13(9-16-3)8-15(12(11)2)21(18,19)17-14-5-4-6-20-10-14/h7-8,14,16-17H,4-6,9-10H2,1-3H3
InChIKeyMOVZRDVAKILQJU-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187
5-(aminomethyl)-3-fluoro-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106072353
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551902
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106065204
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide (CID 106065308) is 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide is CNCc1cc(C)c(C)c(S(=O)(=O)NC2CCCOC2)c1.
What is the InChIKey of 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is MOVZRDVAKILQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-7-13(9-16-3)8-15(12(11)2)21(18,19)17-14-5-4-6-20-10-14/h7-8,14,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106065308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).