oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate

C13H15NO6S — CID 102608652

IUPACoxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)OC1COC1)CCO2
InChIInChI=1S/C13H15NO6S/c14-21(16,17)9-1-2-12-11(5-9)10(3-4-19-12)13(15)20-8-6-18-7-8/h1-2,5,8,10H,3-4,6-7H2,(H2,14,16,17)
InChIKeyFDNKUBUXAOBTOZ-UHFFFAOYSA-N
MW313.33 g/mol
LogP0.14
Rot. Bonds3

About oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate

oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate (PubChem CID 102608652) has the molecular formula C13H15NO6S and a molecular weight of 313.33 g/mol. Its IUPAC name is oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
PubChem CID102608652
Molecular FormulaC13H15NO6S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Nameoxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)OC1COC1)CCO2
InChIInChI=1S/C13H15NO6S/c14-21(16,17)9-1-2-12-11(5-9)10(3-4-19-12)13(15)20-8-6-18-7-8/h1-2,5,8,10H,3-4,6-7H2,(H2,14,16,17)
InChIKeyFDNKUBUXAOBTOZ-UHFFFAOYSA-N
XLogP0.14
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65379594
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367733
N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65375241
N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65388913
4-(cyclopropylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367992
(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 131548792
N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65373485
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
4-(propylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65368865
oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
CID 102608651

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The IUPAC name of oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate (CID 102608652) is oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate.
What is the SMILES notation for oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The canonical SMILES for oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate is NS(=O)(=O)c1ccc2c(c1)C(C(=O)OC1COC1)CCO2.
What is the InChIKey of oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The InChIKey is FDNKUBUXAOBTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6S/c14-21(16,17)9-1-2-12-11(5-9)10(3-4-19-12)13(15)20-8-6-18-7-8/h1-2,5,8,10H,3-4,6-7H2,(H2,14,16,17).
What are the key properties of oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate is sourced from PubChem (CID 102608652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).