N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide

C11H17N7O2S — CID 72881722

IUPACN-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C11H17N7O2S/c1-21(19,20)17-7-2-4-18(5-3-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7,17H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyTYFMRCBONHGALT-UHFFFAOYSA-N
MW311.37 g/mol
LogP-0.55
Rot. Bonds3

About N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide

N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 72881722) has the molecular formula C11H17N7O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
PubChem CID72881722
Molecular FormulaC11H17N7O2S
Molecular Weight311.37 g/mol
Exact Mass311.12
IUPAC NameN-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C11H17N7O2S/c1-21(19,20)17-7-2-4-18(5-3-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7,17H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyTYFMRCBONHGALT-UHFFFAOYSA-N
XLogP-0.55
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine
CID 46993251
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
CID 103718742
5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 137343874
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide (CID 72881722) is N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2nc(N)nc3nc[nH]c23)CC1.
What is the InChIKey of N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is TYFMRCBONHGALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2S/c1-21(19,20)17-7-2-4-18(5-3-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7,17H,2-5H2,1H3,(H3,12,13,14,15,16).
What are the key properties of N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 311.37 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 72881722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).