5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene

C13H18O3S — CID 158263200

IUPAC5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOCCS(=O)(=O)c1cccc2c1CCCC2
InChIInChI=1S/C13H18O3S/c1-16-9-10-17(14,15)13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8H,2-3,5,7,9-10H2,1H3
InChIKeyIYSGSJUMJISLMU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.99
Rot. Bonds4

About 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene

5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 158263200) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID158263200
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOCCS(=O)(=O)c1cccc2c1CCCC2
InChIInChI=1S/C13H18O3S/c1-16-9-10-17(14,15)13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8H,2-3,5,7,9-10H2,1H3
InChIKeyIYSGSJUMJISLMU-UHFFFAOYSA-N
XLogP1.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143451550
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4-ethyl-2-(2-methoxyethylsulfonyl)-1-methylbenzene
CID 176665808
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 60681149
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 113101703
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
3-[2-(2-methoxyethoxy)ethylsulfonyl]benzene-1,2-dicarbonitrile
CID 86241037
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene (CID 158263200) is 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene is COCCS(=O)(=O)c1cccc2c1CCCC2.
What is the InChIKey of 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is IYSGSJUMJISLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-16-9-10-17(14,15)13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8H,2-3,5,7,9-10H2,1H3.
What are the key properties of 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene?
5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 254.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158263200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).