1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine

C11H17NO3S — CID 117036146

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine
SMILESCNCS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C11H17NO3S/c1-8-5-10(15-4)11(6-9(8)2)16(13,14)7-12-3/h5-6,12H,7H2,1-4H3
InChIKeyKGDLALACBQKISY-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.26
Rot. Bonds4

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine (PubChem CID 117036146) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine
PubChem CID117036146
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine
SMILESCNCS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C11H17NO3S/c1-8-5-10(15-4)11(6-9(8)2)16(13,14)7-12-3/h5-6,12H,7H2,1-4H3
InChIKeyKGDLALACBQKISY-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine
CID 117036429
(2-methoxy-4,5-dimethylphenyl)sulfonylmethanethiol
CID 117036874
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-(2-methoxy-4,5-dimethylphenyl)sulfonylacetonitrile
CID 28753057
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
3-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylpropanenitrile
CID 82020926
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
1-methoxy-4,5-dimethyl-2-propan-2-ylsulfonylbenzene
CID 117031955
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine (CID 117036146) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine is CNCS(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine?
The InChIKey is KGDLALACBQKISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-5-10(15-4)11(6-9(8)2)16(13,14)7-12-3/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine?
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine has a molecular weight of 243.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine is sourced from PubChem (CID 117036146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).