N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide

C14H20N6O2S — CID 146524869

IUPACN-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide
SMILESCNS(=O)(=O)C1CC2(CC(N(C)c3ncnc4nc[nH]c34)C2)C1
InChIInChI=1S/C14H20N6O2S/c1-15-23(21,22)10-5-14(6-10)3-9(4-14)20(2)13-11-12(17-7-16-11)18-8-19-13/h7-10,15H,3-6H2,1-2H3,(H,16,17,18,19)
InChIKeyJHJUJJMVJDCUSZ-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.65
Rot. Bonds4

About N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide

N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide (PubChem CID 146524869) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide
PubChem CID146524869
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC NameN-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide
SMILESCNS(=O)(=O)C1CC2(CC(N(C)c3ncnc4nc[nH]c34)C2)C1
InChIInChI=1S/C14H20N6O2S/c1-15-23(21,22)10-5-14(6-10)3-9(4-14)20(2)13-11-12(17-7-16-11)18-8-19-13/h7-10,15H,3-6H2,1-2H3,(H,16,17,18,19)
InChIKeyJHJUJJMVJDCUSZ-UHFFFAOYSA-N
XLogP0.65
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
CID 79119003
N-methyl-N-(2-pyrrolidin-1-ylsulfonylspiro[3.3]heptan-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146524857
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
benzyl N-(2-chlorosulfonylspiro[3.3]heptan-6-yl)-N-methylcarbamate;benzyl N-(2-hydroxyspiro[3.3]heptan-6-yl)-N-methylcarbamate;benzyl N-methyl-N-[2-(methylsulfamoyl)spiro[3.3]heptan-6-yl]carbamate;6-chloro-7H-purine;ethanol;methanamine;6-(methylamino)spiro[3.3]heptan-2-ol;N-methyl-6-(methylamino)spiro[3.3]heptane-2-sulfonamide;N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide;S-[6-[methyl(phenylmethoxycarbonyl)amino]spiro[3.3]heptan-2-yl] ethanethioate;[6-[methyl(phenylmethoxycarbonyl)amino]spiro[3.3]heptan-2-yl] 4-methylbenzenesulfonate;oxolane
CID 157295592
4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
CID 66237387
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
CID 126918139
2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
CID 65242733
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine
CID 69097604

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide?
The IUPAC name of N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide (CID 146524869) is N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide.
What is the SMILES notation for N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide?
The canonical SMILES for N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide is CNS(=O)(=O)C1CC2(CC(N(C)c3ncnc4nc[nH]c34)C2)C1.
What is the InChIKey of N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide?
The InChIKey is JHJUJJMVJDCUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-15-23(21,22)10-5-14(6-10)3-9(4-14)20(2)13-11-12(17-7-16-11)18-8-19-13/h7-10,15H,3-6H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide?
N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide is sourced from PubChem (CID 146524869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).