N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide

C11H15N5OS — CID 4543679

IUPACN,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N5OS/c1-3-16(4-2)8(17)5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyWKWAJWUPSQMCNF-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.31
Rot. Bonds5

About N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide

N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide (PubChem CID 4543679) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide
PubChem CID4543679
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N5OS/c1-3-16(4-2)8(17)5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyWKWAJWUPSQMCNF-UHFFFAOYSA-N
XLogP1.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide (CID 4543679) is N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide is CCN(CC)C(=O)CSc1ncnc2nc[nH]c12.
What is the InChIKey of N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide?
The InChIKey is WKWAJWUPSQMCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-16(4-2)8(17)5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide?
N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7H-purin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 4543679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).