5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene

C14H22N2O3S — CID 113101703

IUPAC5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
SMILESCN(C)S(=O)(=O)NCCOc1cccc2c1CCCC2
InChIInChI=1S/C14H22N2O3S/c1-16(2)20(17,18)15-10-11-19-14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9,15H,3-4,6,8,10-11H2,1-2H3
InChIKeyVTVXGENMZTXBSN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds6

About 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene

5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene (PubChem CID 113101703) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
PubChem CID113101703
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
SMILESCN(C)S(=O)(=O)NCCOc1cccc2c1CCCC2
InChIInChI=1S/C14H22N2O3S/c1-16(2)20(17,18)15-10-11-19-14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9,15H,3-4,6,8,10-11H2,1-2H3
InChIKeyVTVXGENMZTXBSN-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
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-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide
CID 113101718
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
1-benzyl-1-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975009
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene (CID 113101703) is 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene is CN(C)S(=O)(=O)NCCOc1cccc2c1CCCC2.
What is the InChIKey of 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VTVXGENMZTXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(2)20(17,18)15-10-11-19-14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9,15H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene?
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 298.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 113101703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).