(1-oxo-2,3-dihydroinden-4-yl) sulfamate

C9H9NO4S — CID 10537275

IUPAC(1-oxo-2,3-dihydroinden-4-yl) sulfamate
SMILESNS(=O)(=O)Oc1cccc2c1CCC2=O
InChIInChI=1S/C9H9NO4S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3H,4-5H2,(H2,10,12,13)
InChIKeyOVABMWBBAYJUQR-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.40
Rot. Bonds2

About (1-oxo-2,3-dihydroinden-4-yl) sulfamate

(1-oxo-2,3-dihydroinden-4-yl) sulfamate (PubChem CID 10537275) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is (1-oxo-2,3-dihydroinden-4-yl) sulfamate.

Molecular Properties

Compound Name(1-oxo-2,3-dihydroinden-4-yl) sulfamate
PubChem CID10537275
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name(1-oxo-2,3-dihydroinden-4-yl) sulfamate
SMILESNS(=O)(=O)Oc1cccc2c1CCC2=O
InChIInChI=1S/C9H9NO4S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3H,4-5H2,(H2,10,12,13)
InChIKeyOVABMWBBAYJUQR-UHFFFAOYSA-N
XLogP0.40
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-2,3-dihydroinden-4-yl) sulfamate?
The IUPAC name of (1-oxo-2,3-dihydroinden-4-yl) sulfamate (CID 10537275) is (1-oxo-2,3-dihydroinden-4-yl) sulfamate.
What is the SMILES notation for (1-oxo-2,3-dihydroinden-4-yl) sulfamate?
The canonical SMILES for (1-oxo-2,3-dihydroinden-4-yl) sulfamate is NS(=O)(=O)Oc1cccc2c1CCC2=O.
What is the InChIKey of (1-oxo-2,3-dihydroinden-4-yl) sulfamate?
The InChIKey is OVABMWBBAYJUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3H,4-5H2,(H2,10,12,13).
What are the key properties of (1-oxo-2,3-dihydroinden-4-yl) sulfamate?
(1-oxo-2,3-dihydroinden-4-yl) sulfamate has a molecular weight of 227.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-2,3-dihydroinden-4-yl) sulfamate is sourced from PubChem (CID 10537275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).