2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide

C19H22N10O2S2 — CID 21026812

IUPAC2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)NCCCCCNC(=O)CSc1ncnc2nc[nH]c12
InChIInChI=1S/C19H22N10O2S2/c30-12(6-32-18-14-16(24-8-22-14)26-10-28-18)20-4-2-1-3-5-21-13(31)7-33-19-15-17(25-9-23-15)27-11-29-19/h8-11H,1-7H2,(H,20,30)(H,21,31)(H,22,24,26,28)(H,23,25,27,29)
InChIKeyLOHUOBSBWKAHNS-UHFFFAOYSA-N
MW486.59 g/mol
LogP1.31
Rot. Bonds12

About 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide

2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide (PubChem CID 21026812) has the molecular formula C19H22N10O2S2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide.

Molecular Properties

Compound Name2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide
PubChem CID21026812
Molecular FormulaC19H22N10O2S2
Molecular Weight486.59 g/mol
Exact Mass486.14
IUPAC Name2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)NCCCCCNC(=O)CSc1ncnc2nc[nH]c12
InChIInChI=1S/C19H22N10O2S2/c30-12(6-32-18-14-16(24-8-22-14)26-10-28-18)20-4-2-1-3-5-21-13(31)7-33-19-15-17(25-9-23-15)27-11-29-19/h8-11H,1-7H2,(H,20,30)(H,21,31)(H,22,24,26,28)(H,23,25,27,29)
InChIKeyLOHUOBSBWKAHNS-UHFFFAOYSA-N
XLogP1.31
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 3701880
N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 19059102
4-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]benzoic acid
CID 71296853
N-[(1S)-1-phenylethyl]-2-(7H-purin-6-ylsulfanyl)acetamide
CID 726078
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
1-(7H-purin-6-ylsulfanyl)pentan-2-one
CID 62255400
N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
CID 21371017
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
dodecyl 2-(7H-purin-6-ylsulfanyl)acetate
CID 71296379
N-(2-chloro-3-pyridinyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 23101849
1-(azepan-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 56736233
1-(4-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 680874

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide?
The IUPAC name of 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide (CID 21026812) is 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide.
What is the SMILES notation for 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide?
The canonical SMILES for 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide is O=C(CSc1ncnc2nc[nH]c12)NCCCCCNC(=O)CSc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide?
The InChIKey is LOHUOBSBWKAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O2S2/c30-12(6-32-18-14-16(24-8-22-14)26-10-28-18)20-4-2-1-3-5-21-13(31)7-33-19-15-17(25-9-23-15)27-11-29-19/h8-11H,1-7H2,(H,20,30)(H,21,31)(H,22,24,26,28)(H,23,25,27,29).
What are the key properties of 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide?
2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 1.31, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide is sourced from PubChem (CID 21026812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).