(4-methyl-2-oxochromen-6-yl) sulfamate

C10H9NO5S — CID 10538931

IUPAC(4-methyl-2-oxochromen-6-yl) sulfamate
SMILESCc1cc(=O)oc2ccc(OS(N)(=O)=O)cc12
InChIInChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-3-2-7(5-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyJFXMCVSVEIGFJQ-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.68
Rot. Bonds2

About (4-methyl-2-oxochromen-6-yl) sulfamate

(4-methyl-2-oxochromen-6-yl) sulfamate (PubChem CID 10538931) has the molecular formula C10H9NO5S and a molecular weight of 255.25 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-6-yl) sulfamate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-6-yl) sulfamate
PubChem CID10538931
Molecular FormulaC10H9NO5S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name(4-methyl-2-oxochromen-6-yl) sulfamate
SMILESCc1cc(=O)oc2ccc(OS(N)(=O)=O)cc12
InChIInChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-3-2-7(5-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyJFXMCVSVEIGFJQ-UHFFFAOYSA-N
XLogP0.68
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-6-yl) sulfamate?
The IUPAC name of (4-methyl-2-oxochromen-6-yl) sulfamate (CID 10538931) is (4-methyl-2-oxochromen-6-yl) sulfamate.
What is the SMILES notation for (4-methyl-2-oxochromen-6-yl) sulfamate?
The canonical SMILES for (4-methyl-2-oxochromen-6-yl) sulfamate is Cc1cc(=O)oc2ccc(OS(N)(=O)=O)cc12.
What is the InChIKey of (4-methyl-2-oxochromen-6-yl) sulfamate?
The InChIKey is JFXMCVSVEIGFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-3-2-7(5-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14).
What are the key properties of (4-methyl-2-oxochromen-6-yl) sulfamate?
(4-methyl-2-oxochromen-6-yl) sulfamate has a molecular weight of 255.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-6-yl) sulfamate is sourced from PubChem (CID 10538931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).