1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine

C11H17NO4S — CID 116927354

IUPAC1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
SMILESCNCc1cc(OC)c(S(C)(=O)=O)cc1OC
InChIInChI=1S/C11H17NO4S/c1-12-7-8-5-10(16-3)11(17(4,13)14)6-9(8)15-2/h5-6,12H,7H2,1-4H3
InChIKeyBGRIHAGHDLQKBE-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.83
Rot. Bonds5

About 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine

1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine (PubChem CID 116927354) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
PubChem CID116927354
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
SMILESCNCc1cc(OC)c(S(C)(=O)=O)cc1OC
InChIInChI=1S/C11H17NO4S/c1-12-7-8-5-10(16-3)11(17(4,13)14)6-9(8)15-2/h5-6,12H,7H2,1-4H3
InChIKeyBGRIHAGHDLQKBE-UHFFFAOYSA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(2,5-dimethoxy-4-methylsulfonylphenyl)methylhydrazine
CID 116932374
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
1-(isocyanatomethyl)-2,5-dimethoxy-4-methylsulfonylbenzene
CID 117430855
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
3-(4,5-dimethoxy-2-methylsulfonylphenyl)propan-1-amine
CID 117436174
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
2-(2,5-dimethoxy-4-methylsulfonylphenyl)propanenitrile
CID 116835790
3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propanal
CID 117394385
amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
CID 116939710

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine (CID 116927354) is 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine is CNCc1cc(OC)c(S(C)(=O)=O)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine?
The InChIKey is BGRIHAGHDLQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-12-7-8-5-10(16-3)11(17(4,13)14)6-9(8)15-2/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine?
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine has a molecular weight of 259.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116927354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).