N-methyl-7H-purine-6-sulfonamide

C6H7N5O2S — CID 5484337

IUPACN-methyl-7H-purine-6-sulfonamide
SMILESCNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5O2S/c1-7-14(12,13)6-4-5(9-2-8-4)10-3-11-6/h2-3,7H,1H3,(H,8,9,10,11)
InChIKeyVPCUMYLNUQZDQS-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.74
Rot. Bonds2

About N-methyl-7H-purine-6-sulfonamide

N-methyl-7H-purine-6-sulfonamide (PubChem CID 5484337) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is N-methyl-7H-purine-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-7H-purine-6-sulfonamide
PubChem CID5484337
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC NameN-methyl-7H-purine-6-sulfonamide
SMILESCNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5O2S/c1-7-14(12,13)6-4-5(9-2-8-4)10-3-11-6/h2-3,7H,1H3,(H,8,9,10,11)
InChIKeyVPCUMYLNUQZDQS-UHFFFAOYSA-N
XLogP-0.74
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7H-purine-6-sulfonamide?
The IUPAC name of N-methyl-7H-purine-6-sulfonamide (CID 5484337) is N-methyl-7H-purine-6-sulfonamide.
What is the SMILES notation for N-methyl-7H-purine-6-sulfonamide?
The canonical SMILES for N-methyl-7H-purine-6-sulfonamide is CNS(=O)(=O)c1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-7H-purine-6-sulfonamide?
The InChIKey is VPCUMYLNUQZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c1-7-14(12,13)6-4-5(9-2-8-4)10-3-11-6/h2-3,7H,1H3,(H,8,9,10,11).
What are the key properties of N-methyl-7H-purine-6-sulfonamide?
N-methyl-7H-purine-6-sulfonamide has a molecular weight of 213.22 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7H-purine-6-sulfonamide is sourced from PubChem (CID 5484337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).