6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

C12H14N4O4S — CID 107337267

IUPAC6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cc(N)cc3c2OCCC3)n1
InChIInChI=1S/C12H14N4O4S/c1-7-14-12(20-15-7)16-21(17,18)10-6-9(13)5-8-3-2-4-19-11(8)10/h5-6H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyXJNVQVQHPOBELH-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.09
Rot. Bonds3

About 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337267) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337267
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cc(N)cc3c2OCCC3)n1
InChIInChI=1S/C12H14N4O4S/c1-7-14-12(20-15-7)16-21(17,18)10-6-9(13)5-8-3-2-4-19-11(8)10/h5-6H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyXJNVQVQHPOBELH-UHFFFAOYSA-N
XLogP1.09
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337267) is 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is Cc1noc(NS(=O)(=O)c2cc(N)cc3c2OCCC3)n1.
What is the InChIKey of 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is XJNVQVQHPOBELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-14-12(20-15-7)16-21(17,18)10-6-9(13)5-8-3-2-4-19-11(8)10/h5-6H,2-4,13H2,1H3,(H,14,15,16).
What are the key properties of 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).