[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide

C10H12N6O3S — CID 168683385

IUPAC[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C10H12N6O3S/c11-20(18,19)3-6-1-7(17)16(2-6)10-8-9(13-4-12-8)14-5-15-10/h4-6H,1-3H2,(H2,11,18,19)(H,12,13,14,15)
InChIKeyKSZXNZJTHHTRAH-UHFFFAOYSA-N
MW296.31 g/mol
LogP-1.01
Rot. Bonds3

About [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683385) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168683385
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C10H12N6O3S/c11-20(18,19)3-6-1-7(17)16(2-6)10-8-9(13-4-12-8)14-5-15-10/h4-6H,1-3H2,(H2,11,18,19)(H,12,13,14,15)
InChIKeyKSZXNZJTHHTRAH-UHFFFAOYSA-N
XLogP-1.01
TPSA134.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
CID 168692424
[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682343
methyl 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylate
CID 168695495
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681565
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
1-(2-amino-7H-purin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509263
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide (CID 168683385) is [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is KSZXNZJTHHTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c11-20(18,19)3-6-1-7(17)16(2-6)10-8-9(13-4-12-8)14-5-15-10/h4-6H,1-3H2,(H2,11,18,19)(H,12,13,14,15).
What are the key properties of [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).