(8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate

C10H11NO4S — CID 10800136

IUPAC(8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C10H11NO4S/c11-16(13,14)15-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2,(H2,11,13,14)
InChIKeyXCSVRPSEKPDGKI-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.79
Rot. Bonds2

About (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate

(8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate (PubChem CID 10800136) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate.

Molecular Properties

Compound Name(8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate
PubChem CID10800136
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name(8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C10H11NO4S/c11-16(13,14)15-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2,(H2,11,13,14)
InChIKeyXCSVRPSEKPDGKI-UHFFFAOYSA-N
XLogP0.79
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate?
The IUPAC name of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate (CID 10800136) is (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate.
What is the SMILES notation for (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate?
The canonical SMILES for (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate?
The InChIKey is XCSVRPSEKPDGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c11-16(13,14)15-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2,(H2,11,13,14).
What are the key properties of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate?
(8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate has a molecular weight of 241.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-6,7-dihydro-5H-naphthalen-2-yl) sulfamate is sourced from PubChem (CID 10800136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).