N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide

C9H15N7O2S — CID 106343102

IUPACN-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(=O)(=O)NC)c2[nH]cnc2n1
InChIInChI=1S/C9H15N7O2S/c1-10-9-15-7(6-8(16-9)14-5-13-6)12-3-4-19(17,18)11-2/h5,11H,3-4H2,1-2H3,(H3,10,12,13,14,15,16)
InChIKeyILKWEYRSYARVGG-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.64
Rot. Bonds6

About N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide

N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide (PubChem CID 106343102) has the molecular formula C9H15N7O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
PubChem CID106343102
Molecular FormulaC9H15N7O2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC NameN-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(=O)(=O)NC)c2[nH]cnc2n1
InChIInChI=1S/C9H15N7O2S/c1-10-9-15-7(6-8(16-9)14-5-13-6)12-3-4-19(17,18)11-2/h5,11H,3-4H2,1-2H3,(H3,10,12,13,14,15,16)
InChIKeyILKWEYRSYARVGG-UHFFFAOYSA-N
XLogP-0.64
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 106411991
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114784865
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
6-N-(4-imidazol-1-ylbutyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784854
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide (CID 106343102) is N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide is CNc1nc(NCCS(=O)(=O)NC)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide?
The InChIKey is ILKWEYRSYARVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O2S/c1-10-9-15-7(6-8(16-9)14-5-13-6)12-3-4-19(17,18)11-2/h5,11H,3-4H2,1-2H3,(H3,10,12,13,14,15,16).
What are the key properties of N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide?
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).