2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide

C13H20N2O3S — CID 102704578

IUPAC2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CC2C)c(OC)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-11(9)15-19(16,17)13-5-4-10(8-14-2)7-12(13)18-3/h4-5,7,9,11,14-15H,6,8H2,1-3H3
InChIKeyGRYVPWMRBAEVON-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.10
Rot. Bonds6

About 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide

2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 102704578) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID102704578
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CC2C)c(OC)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-11(9)15-19(16,17)13-5-4-10(8-14-2)7-12(13)18-3/h4-5,7,9,11,14-15H,6,8H2,1-3H3
InChIKeyGRYVPWMRBAEVON-UHFFFAOYSA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704737
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 102704312
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102704119

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide (CID 102704578) is 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2CC2C)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is GRYVPWMRBAEVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-11(9)15-19(16,17)13-5-4-10(8-14-2)7-12(13)18-3/h4-5,7,9,11,14-15H,6,8H2,1-3H3.
What are the key properties of 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 102704578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).