3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide

C15H22N6OS — CID 71933356

IUPAC3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide
SMILESCCSCCC(=O)NC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H22N6OS/c1-2-23-8-5-12(22)20-11-3-6-21(7-4-11)15-13-14(17-9-16-13)18-10-19-15/h9-11H,2-8H2,1H3,(H,20,22)(H,16,17,18,19)
InChIKeySUXVNOWDCDQSKL-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.58
Rot. Bonds6

About 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide

3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide (PubChem CID 71933356) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide
PubChem CID71933356
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide
SMILESCCSCCC(=O)NC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H22N6OS/c1-2-23-8-5-12(22)20-11-3-6-21(7-4-11)15-13-14(17-9-16-13)18-10-19-15/h9-11H,2-8H2,1H3,(H,20,22)(H,16,17,18,19)
InChIKeySUXVNOWDCDQSKL-UHFFFAOYSA-N
XLogP1.58
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide (CID 71933356) is 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide is CCSCCC(=O)NC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide?
The InChIKey is SUXVNOWDCDQSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-2-23-8-5-12(22)20-11-3-6-21(7-4-11)15-13-14(17-9-16-13)18-10-19-15/h9-11H,2-8H2,1H3,(H,20,22)(H,16,17,18,19).
What are the key properties of 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide?
3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide has a molecular weight of 334.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 71933356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).