(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C15H18O3S — CID 64905179

IUPAC(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)C1CCCc2ccccc21
InChIInChI=1S/C15H18O3S/c16-15(12-8-9-19(17,18)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2
InChIKeyYJRWWYRDXDGJSM-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.11
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 64905179) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID64905179
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)C1CCCc2ccccc21
InChIInChI=1S/C15H18O3S/c16-15(12-8-9-19(17,18)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2
InChIKeyYJRWWYRDXDGJSM-UHFFFAOYSA-N
XLogP2.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 64905179) is (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(C1CCS(=O)(=O)C1)C1CCCc2ccccc21.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is YJRWWYRDXDGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c16-15(12-8-9-19(17,18)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 278.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 64905179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).