2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide

C12H18N6OS — CID 62254165

IUPAC2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide
SMILESCC(N)(CCCCSc1ncnc2nc[nH]c12)C(N)=O
InChIInChI=1S/C12H18N6OS/c1-12(14,11(13)19)4-2-3-5-20-10-8-9(16-6-15-8)17-7-18-10/h6-7H,2-5,14H2,1H3,(H2,13,19)(H,15,16,17,18)
InChIKeySKJUDWQOPLGRLF-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.82
Rot. Bonds7

About 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide

2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide (PubChem CID 62254165) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide.

Molecular Properties

Compound Name2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide
PubChem CID62254165
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide
SMILESCC(N)(CCCCSc1ncnc2nc[nH]c12)C(N)=O
InChIInChI=1S/C12H18N6OS/c1-12(14,11(13)19)4-2-3-5-20-10-8-9(16-6-15-8)17-7-18-10/h6-7H,2-5,14H2,1H3,(H2,13,19)(H,15,16,17,18)
InChIKeySKJUDWQOPLGRLF-UHFFFAOYSA-N
XLogP0.82
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571
ethyl 2-amino-2-methyl-3-(7H-purin-6-ylsulfanyl)propanoate
CID 55053300
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
6-dodecylsulfanyl-7H-purine
CID 3778984
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanenitrile
CID 62253618
2,2-dimethyl-5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 65257500
2-methyl-2-(propan-2-ylamino)-3-(7H-purin-6-ylsulfanyl)propanamide
CID 62254679
methyl 2-methyl-2-(methylamino)-4-(7H-purin-6-ylsulfanyl)butanoate
CID 62254340
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775
1-(7H-purin-6-ylsulfanyl)pentan-2-one
CID 62255400

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide?
The IUPAC name of 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide (CID 62254165) is 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide.
What is the SMILES notation for 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide?
The canonical SMILES for 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide is CC(N)(CCCCSc1ncnc2nc[nH]c12)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide?
The InChIKey is SKJUDWQOPLGRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-12(14,11(13)19)4-2-3-5-20-10-8-9(16-6-15-8)17-7-18-10/h6-7H,2-5,14H2,1H3,(H2,13,19)(H,15,16,17,18).
What are the key properties of 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide?
2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide has a molecular weight of 294.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide is sourced from PubChem (CID 62254165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).