6-oxo-1,7-dihydropurine-8-sulfonamide

C5H5N5O3S — CID 135422177

IUPAC6-oxo-1,7-dihydropurine-8-sulfonamide
SMILESNS(=O)(=O)c1nc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C5H5N5O3S/c6-14(12,13)5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H2,6,12,13)(H2,7,8,9,10,11)
InChIKeyGSKPJJZRRZURIE-UHFFFAOYSA-N
MW215.19 g/mol
LogP-1.71
Rot. Bonds1

About 6-oxo-1,7-dihydropurine-8-sulfonamide

6-oxo-1,7-dihydropurine-8-sulfonamide (PubChem CID 135422177) has the molecular formula C5H5N5O3S and a molecular weight of 215.19 g/mol. Its IUPAC name is 6-oxo-1,7-dihydropurine-8-sulfonamide.

Molecular Properties

Compound Name6-oxo-1,7-dihydropurine-8-sulfonamide
PubChem CID135422177
Molecular FormulaC5H5N5O3S
Molecular Weight215.19 g/mol
Exact Mass215.01
IUPAC Name6-oxo-1,7-dihydropurine-8-sulfonamide
SMILESNS(=O)(=O)c1nc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C5H5N5O3S/c6-14(12,13)5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H2,6,12,13)(H2,7,8,9,10,11)
InChIKeyGSKPJJZRRZURIE-UHFFFAOYSA-N
XLogP-1.71
TPSA134.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Guanine
CID 135398634
Hypoxanthine
CID 135398638
1,5-Dihydroimidazo[4,5-C][1,2,6]thiadiazin-4(3h)-One 2,2-Dioxide
CID 12413165
1-Methylhypoxanthine
CID 70765
8-amino-6,7-dihydro-1H-purin-6-one
CID 135421879
1-Methyl-3-(6-oxo-1,7-dihydropurin-2-yl)urea
CID 136011272
(6-Oxo-1,7-dihydropurin-2-yl)urea
CID 136438278
8-(1lambda(5)-Diazynyl)-9H-purin-6-ol
CID 135426536
2-Amino-3,7-dihydro-6H-purin-6-one--water (1/1)
CID 136236057
AC1Liosd
CID 135421863
8-Chlorohypoxanthine
CID 135421877
6-Oxo-3,5-dihydropurine-2-sulfonyl fluoride
CID 135422164

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,7-dihydropurine-8-sulfonamide?
The IUPAC name of 6-oxo-1,7-dihydropurine-8-sulfonamide (CID 135422177) is 6-oxo-1,7-dihydropurine-8-sulfonamide.
What is the SMILES notation for 6-oxo-1,7-dihydropurine-8-sulfonamide?
The canonical SMILES for 6-oxo-1,7-dihydropurine-8-sulfonamide is NS(=O)(=O)c1nc2nc[nH]c(=O)c2[nH]1.
What is the InChIKey of 6-oxo-1,7-dihydropurine-8-sulfonamide?
The InChIKey is GSKPJJZRRZURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O3S/c6-14(12,13)5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H2,6,12,13)(H2,7,8,9,10,11).
What are the key properties of 6-oxo-1,7-dihydropurine-8-sulfonamide?
6-oxo-1,7-dihydropurine-8-sulfonamide has a molecular weight of 215.19 g/mol, XLogP of -1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,7-dihydropurine-8-sulfonamide is sourced from PubChem (CID 135422177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).