6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene

C11H16N2O4S — CID 126793066

IUPAC6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
SMILESCCOc1ccc2c(c1)C(NS(N)(=O)=O)CCO2
InChIInChI=1S/C11H16N2O4S/c1-2-16-8-3-4-11-9(7-8)10(5-6-17-11)13-18(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15)
InChIKeyWEMZZTJEPGEOFJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.70
Rot. Bonds4

About 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene

6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene (PubChem CID 126793066) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
PubChem CID126793066
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
SMILESCCOc1ccc2c(c1)C(NS(N)(=O)=O)CCO2
InChIInChI=1S/C11H16N2O4S/c1-2-16-8-3-4-11-9(7-8)10(5-6-17-11)13-18(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15)
InChIKeyWEMZZTJEPGEOFJ-UHFFFAOYSA-N
XLogP0.70
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide
CID 164640310
3-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 146127534
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
CID 138013365
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138013320
(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 97231945
1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126780314
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126784613
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727
5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 110751341

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene (CID 126793066) is 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene is CCOc1ccc2c(c1)C(NS(N)(=O)=O)CCO2.
What is the InChIKey of 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
The InChIKey is WEMZZTJEPGEOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-16-8-3-4-11-9(7-8)10(5-6-17-11)13-18(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15).
What are the key properties of 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene?
6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene has a molecular weight of 272.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 126793066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).