1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene

C11H18N2O3S — CID 47320480

IUPAC1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
SMILESCc1ccccc1OCCNS(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O3S/c1-10-6-4-5-7-11(10)16-9-8-12-17(14,15)13(2)3/h4-7,12H,8-9H2,1-3H3
InChIKeyAYYPALXYERRNIK-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.77
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene

1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene (PubChem CID 47320480) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
PubChem CID47320480
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
SMILESCc1ccccc1OCCNS(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O3S/c1-10-6-4-5-7-11(10)16-9-8-12-17(14,15)13(2)3/h4-7,12H,8-9H2,1-3H3
InChIKeyAYYPALXYERRNIK-UHFFFAOYSA-N
XLogP0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.77
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-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 113101703
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene (CID 47320480) is 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene is Cc1ccccc1OCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
The InChIKey is AYYPALXYERRNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-10-6-4-5-7-11(10)16-9-8-12-17(14,15)13(2)3/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene has a molecular weight of 258.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene is sourced from PubChem (CID 47320480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).