3-(dimethylsulfamoylamino)propoxybenzene

C11H18N2O3S — CID 35331180

IUPAC3-(dimethylsulfamoylamino)propoxybenzene
SMILESCN(C)S(=O)(=O)NCCCOc1ccccc1
InChIInChI=1S/C11H18N2O3S/c1-13(2)17(14,15)12-9-6-10-16-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyZDCUOTZZGPYQJN-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.85
Rot. Bonds7

About 3-(dimethylsulfamoylamino)propoxybenzene

3-(dimethylsulfamoylamino)propoxybenzene (PubChem CID 35331180) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)propoxybenzene.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)propoxybenzene
PubChem CID35331180
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-(dimethylsulfamoylamino)propoxybenzene
SMILESCN(C)S(=O)(=O)NCCCOc1ccccc1
InChIInChI=1S/C11H18N2O3S/c1-13(2)17(14,15)12-9-6-10-16-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyZDCUOTZZGPYQJN-UHFFFAOYSA-N
XLogP0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.85
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]-4-fluorobenzene
CID 35617109
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
3-(4-benzoylphenoxy)propyl-[3-(dimethylsulfamoylamino)propyl]-dimethylazanium
CID 126639105
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
1-aminooxy-3-(dimethylsulfamoylamino)propane
CID 39239879
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)propoxybenzene?
The IUPAC name of 3-(dimethylsulfamoylamino)propoxybenzene (CID 35331180) is 3-(dimethylsulfamoylamino)propoxybenzene.
What is the SMILES notation for 3-(dimethylsulfamoylamino)propoxybenzene?
The canonical SMILES for 3-(dimethylsulfamoylamino)propoxybenzene is CN(C)S(=O)(=O)NCCCOc1ccccc1.
What is the InChIKey of 3-(dimethylsulfamoylamino)propoxybenzene?
The InChIKey is ZDCUOTZZGPYQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(2)17(14,15)12-9-6-10-16-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 3-(dimethylsulfamoylamino)propoxybenzene?
3-(dimethylsulfamoylamino)propoxybenzene has a molecular weight of 258.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)propoxybenzene is sourced from PubChem (CID 35331180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).