9-(propylsulfonimidoyl)-8H-purine-7-carboxamide

C9H14N6O2S — CID 134306019

IUPAC9-(propylsulfonimidoyl)-8H-purine-7-carboxamide
SMILES[H]N=S(=O)(CCC)N1CN(C(N)=O)c2cncnc21
InChIInChI=1S/C9H14N6O2S/c1-2-3-18(11,17)15-6-14(9(10)16)7-4-12-5-13-8(7)15/h4-5,11H,2-3,6H2,1H3,(H2,10,16)
InChIKeySIURDQDHCSBPCZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP0.51
Rot. Bonds3

About 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide

9-(propylsulfonimidoyl)-8H-purine-7-carboxamide (PubChem CID 134306019) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide.

Molecular Properties

Compound Name9-(propylsulfonimidoyl)-8H-purine-7-carboxamide
PubChem CID134306019
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name9-(propylsulfonimidoyl)-8H-purine-7-carboxamide
SMILES[H]N=S(=O)(CCC)N1CN(C(N)=O)c2cncnc21
InChIInChI=1S/C9H14N6O2S/c1-2-3-18(11,17)15-6-14(9(10)16)7-4-12-5-13-8(7)15/h4-5,11H,2-3,6H2,1H3,(H2,10,16)
InChIKeySIURDQDHCSBPCZ-UHFFFAOYSA-N
XLogP0.51
TPSA116.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Microxine
CID 10061827
7H-Purin-8-ol
CID 229771
8-Oxo-7,8-dihydrodeoxyguanine
CID 5356758
7-Methyl-1H-purin-8(7H)-one
CID 23422302
9-methyl-7H-purin-8(9H)-one
CID 23422303
Purine, 7,8-dihydro-7,9-dimethyl-8-oxo-
CID 23422304
9-(3-Methylbutyl)-8,9-dihydro-7H-purin-8-one
CID 53181086
3-(9-methyl-8-oxo-8,9-dihydro-7H-purin-7-yl)propyl cyanide
CID 53181193
2-amino-7-(3,3,3-trifluoropropyl)-9H-purin-8-one
CID 166517468
7-(3,3,3-trifluoropropyl)-9H-purin-8-one
CID 175808735
9-(4-Amino-2-fluorobut-2-enyl)-7-methylpurin-8-one
CID 175854121
7-(4,4,4-trifluorobutyl)-9H-purin-8-one
CID 176101533

Frequently Asked Questions

What is the IUPAC name of 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide?
The IUPAC name of 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide (CID 134306019) is 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide.
What is the SMILES notation for 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide?
The canonical SMILES for 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide is [H]N=S(=O)(CCC)N1CN(C(N)=O)c2cncnc21.
What is the InChIKey of 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide?
The InChIKey is SIURDQDHCSBPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-2-3-18(11,17)15-6-14(9(10)16)7-4-12-5-13-8(7)15/h4-5,11H,2-3,6H2,1H3,(H2,10,16).
What are the key properties of 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide?
9-(propylsulfonimidoyl)-8H-purine-7-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(propylsulfonimidoyl)-8H-purine-7-carboxamide is sourced from PubChem (CID 134306019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).