2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene

C11H18N2O3S — CID 35606173

IUPAC2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O3S/c1-9-5-6-11(16-4)10(7-9)8-12-17(14,15)13(2)3/h5-7,12H,8H2,1-4H3
InChIKeyKKCJUBBTBKOOEF-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.90
Rot. Bonds5

About 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene

2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene (PubChem CID 35606173) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
PubChem CID35606173
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O3S/c1-9-5-6-11(16-4)10(7-9)8-12-17(14,15)13(2)3/h5-7,12H,8H2,1-4H3
InChIKeyKKCJUBBTBKOOEF-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
CID 110780219
1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
CID 110780838
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425
4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene (CID 35606173) is 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1CNS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene?
The InChIKey is KKCJUBBTBKOOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-5-6-11(16-4)10(7-9)8-12-17(14,15)13(2)3/h5-7,12H,8H2,1-4H3.
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene?
2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene has a molecular weight of 258.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 35606173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).