N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide

C10H16N6O2S — CID 63859364

IUPACN-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncnc2nc[nH]c12)NS(C)(=O)=O
InChIInChI=1S/C10H16N6O2S/c1-10(2,16-19(3,17)18)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6,16H,4H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyOEOQNWZBFHJLHM-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.09
Rot. Bonds5

About N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 63859364) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
PubChem CID63859364
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC NameN-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncnc2nc[nH]c12)NS(C)(=O)=O
InChIInChI=1S/C10H16N6O2S/c1-10(2,16-19(3,17)18)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6,16H,4H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyOEOQNWZBFHJLHM-UHFFFAOYSA-N
XLogP0.09
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079
N-(5-chloro-2,2-dimethylpentyl)-7H-purin-6-amine
CID 106142020
(7H-purin-6-ylamino)methanol
CID 86209273
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80907618
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide
CID 20832793
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
CID 133308417
(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol
CID 95775337

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide (CID 63859364) is N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide is CC(C)(CNc1ncnc2nc[nH]c12)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is OEOQNWZBFHJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-10(2,16-19(3,17)18)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6,16H,4H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).