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'}

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Related Compounds

(E)-4,4-dimethyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pent-2-enamide
CID 75533505
N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133293462
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
tert-butyl N-[(3S)-1-(7H-purin-6-yl)pyrrolidin-3-yl]carbamate
CID 133380916
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
1-(7H-purin-6-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)piperidin-4-amine
CID 72890814
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
6-[(3S)-3-ethylsulfanylazepan-1-yl]-7H-purine
CID 95622987
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199

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).