N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C15H13N7O4S — CID 154351281

IUPACN-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2nc(N)c3[nH]cnc3n2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H13N7O4S/c1-22-10(11(23)7-4-2-3-5-8(7)27(22,25)26)14(24)21-15-19-12(16)9-13(20-15)18-6-17-9/h2-6,23H,1H3,(H4,16,17,18,19,20,21,24)
InChIKeyWOKVKFIOXRGFBR-UHFFFAOYSA-N
MW387.38 g/mol
LogP0.43
Rot. Bonds2

About N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 154351281) has the molecular formula C15H13N7O4S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID154351281
Molecular FormulaC15H13N7O4S
Molecular Weight387.38 g/mol
Exact Mass387.07
IUPAC NameN-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2nc(N)c3[nH]cnc3n2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H13N7O4S/c1-22-10(11(23)7-4-2-3-5-8(7)27(22,25)26)14(24)21-15-19-12(16)9-13(20-15)18-6-17-9/h2-6,23H,1H3,(H4,16,17,18,19,20,21,24)
InChIKeyWOKVKFIOXRGFBR-UHFFFAOYSA-N
XLogP0.43
TPSA167.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 154351281) is N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2nc(N)c3[nH]cnc3n2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is WOKVKFIOXRGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O4S/c1-22-10(11(23)7-4-2-3-5-8(7)27(22,25)26)14(24)21-15-19-12(16)9-13(20-15)18-6-17-9/h2-6,23H,1H3,(H4,16,17,18,19,20,21,24).
What are the key properties of N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 0.43, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-7H-purin-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 154351281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).