2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene

C13H22N2O3S — CID 113101153

IUPAC2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCCNS(=O)(=O)N(C)C)c1C
InChIInChI=1S/C13H22N2O3S/c1-10-6-7-11(2)13(12(10)3)18-9-8-14-19(16,17)15(4)5/h6-7,14H,8-9H2,1-5H3
InChIKeyKJLIDJMZPPSZMM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene

2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene (PubChem CID 113101153) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
PubChem CID113101153
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCCNS(=O)(=O)N(C)C)c1C
InChIInChI=1S/C13H22N2O3S/c1-10-6-7-11(2)13(12(10)3)18-9-8-14-19(16,17)15(4)5/h6-7,14H,8-9H2,1-5H3
InChIKeyKJLIDJMZPPSZMM-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene?
The IUPAC name of 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene (CID 113101153) is 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene?
The canonical SMILES for 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene is Cc1ccc(C)c(OCCNS(=O)(=O)N(C)C)c1C.
What is the InChIKey of 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene?
The InChIKey is KJLIDJMZPPSZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10-6-7-11(2)13(12(10)3)18-9-8-14-19(16,17)15(4)5/h6-7,14H,8-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene?
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene has a molecular weight of 286.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene is sourced from PubChem (CID 113101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).