N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide

C11H18N2O4S — CID 23514871

IUPACN-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide
SMILESCNCOc1ccc(C)c(OC)c1NS(C)(=O)=O
InChIInChI=1S/C11H18N2O4S/c1-8-5-6-9(17-7-12-2)10(11(8)16-3)13-18(4,14)15/h5-6,12-13H,7H2,1-4H3
InChIKeyBQPAMKBTCIFAMD-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.93
Rot. Bonds6

About N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide

N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide (PubChem CID 23514871) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide
PubChem CID23514871
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide
SMILESCNCOc1ccc(C)c(OC)c1NS(C)(=O)=O
InChIInChI=1S/C11H18N2O4S/c1-8-5-6-9(17-7-12-2)10(11(8)16-3)13-18(4,14)15/h5-6,12-13H,7H2,1-4H3
InChIKeyBQPAMKBTCIFAMD-UHFFFAOYSA-N
XLogP0.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide
CID 59156673
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
CID 84710908
N-(3-amino-2,6-dimethylphenyl)methanesulfonamide
CID 24702132
2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 167946777

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide (CID 23514871) is N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide is CNCOc1ccc(C)c(OC)c1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide?
The InChIKey is BQPAMKBTCIFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8-5-6-9(17-7-12-2)10(11(8)16-3)13-18(4,14)15/h5-6,12-13H,7H2,1-4H3.
What are the key properties of N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide?
N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 23514871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).