(4-oxo-2-propylchromen-7-yl) sulfamate

C12H13NO5S — CID 11087274

IUPAC(4-oxo-2-propylchromen-7-yl) sulfamate
SMILESCCCc1cc(=O)c2ccc(OS(N)(=O)=O)cc2o1
InChIInChI=1S/C12H13NO5S/c1-2-3-8-6-11(14)10-5-4-9(7-12(10)17-8)18-19(13,15)16/h4-7H,2-3H2,1H3,(H2,13,15,16)
InChIKeyUXFNVPHYVDONRC-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.33
Rot. Bonds4

About (4-oxo-2-propylchromen-7-yl) sulfamate

(4-oxo-2-propylchromen-7-yl) sulfamate (PubChem CID 11087274) has the molecular formula C12H13NO5S and a molecular weight of 283.30 g/mol. Its IUPAC name is (4-oxo-2-propylchromen-7-yl) sulfamate.

Molecular Properties

Compound Name(4-oxo-2-propylchromen-7-yl) sulfamate
PubChem CID11087274
Molecular FormulaC12H13NO5S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name(4-oxo-2-propylchromen-7-yl) sulfamate
SMILESCCCc1cc(=O)c2ccc(OS(N)(=O)=O)cc2o1
InChIInChI=1S/C12H13NO5S/c1-2-3-8-6-11(14)10-5-4-9(7-12(10)17-8)18-19(13,15)16/h4-7H,2-3H2,1H3,(H2,13,15,16)
InChIKeyUXFNVPHYVDONRC-UHFFFAOYSA-N
XLogP1.33
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate
CID 23553032
7-(2-methylbut-3-yn-2-yloxy)-2-propylchromen-4-one
CID 11300207
2-ethyl-7-methoxychromen-4-one
CID 10013150
2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
CID 82020833
2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
2,6-dipropylchromen-4-one
CID 58402381
O-(2-ethyl-4-oxochromen-7-yl) N,N-dimethylcarbamothioate
CID 15171708
(2-oxo-4-propylchromen-7-yl) 2-bromobenzenesulfonate
CID 31390914
6-methoxy-3-propylisochromen-1-one
CID 11229706
4-amino-7-butoxychromen-2-one
CID 175494716
(2-oxo-6-propylpyran-4-yl) methanesulfonate
CID 13463923
[4-(3-methylhexyl)-2-oxo-1H-quinolin-7-yl] sulfamate
CID 20817622

Frequently Asked Questions

What is the IUPAC name of (4-oxo-2-propylchromen-7-yl) sulfamate?
The IUPAC name of (4-oxo-2-propylchromen-7-yl) sulfamate (CID 11087274) is (4-oxo-2-propylchromen-7-yl) sulfamate.
What is the SMILES notation for (4-oxo-2-propylchromen-7-yl) sulfamate?
The canonical SMILES for (4-oxo-2-propylchromen-7-yl) sulfamate is CCCc1cc(=O)c2ccc(OS(N)(=O)=O)cc2o1.
What is the InChIKey of (4-oxo-2-propylchromen-7-yl) sulfamate?
The InChIKey is UXFNVPHYVDONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-2-3-8-6-11(14)10-5-4-9(7-12(10)17-8)18-19(13,15)16/h4-7H,2-3H2,1H3,(H2,13,15,16).
What are the key properties of (4-oxo-2-propylchromen-7-yl) sulfamate?
(4-oxo-2-propylchromen-7-yl) sulfamate has a molecular weight of 283.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-2-propylchromen-7-yl) sulfamate is sourced from PubChem (CID 11087274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).