8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane

C18H34N2O2S — CID 173163203

IUPAC8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane
SMILESO=S(=O)(CCCCC1CCNCC1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H34N2O2S/c21-23(22,16-4-1-5-17-6-12-19-13-7-17)20-14-10-18(11-15-20)8-2-3-9-18/h17,19H,1-16H2
InChIKeyLKBQPZPUHBHIMI-UHFFFAOYSA-N
MW342.55 g/mol
LogP3.14
Rot. Bonds6

About 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane

8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane (PubChem CID 173163203) has the molecular formula C18H34N2O2S and a molecular weight of 342.55 g/mol. Its IUPAC name is 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane
PubChem CID173163203
Molecular FormulaC18H34N2O2S
Molecular Weight342.55 g/mol
Exact Mass342.23
IUPAC Name8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane
SMILESO=S(=O)(CCCCC1CCNCC1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H34N2O2S/c21-23(22,16-4-1-5-17-6-12-19-13-7-17)20-14-10-18(11-15-20)8-2-3-9-18/h17,19H,1-16H2
InChIKeyLKBQPZPUHBHIMI-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70094794
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
CID 63159425
4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
CID 126694239
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
3-(1,4-diazepan-1-ylsulfonyl)-3-azaspiro[5.5]undecane
CID 62937963
8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 169490463
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
1-butylsulfonylpiperazine
CID 16769079

Frequently Asked Questions

What is the IUPAC name of 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane (CID 173163203) is 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane is O=S(=O)(CCCCC1CCNCC1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane?
The InChIKey is LKBQPZPUHBHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2S/c21-23(22,16-4-1-5-17-6-12-19-13-7-17)20-14-10-18(11-15-20)8-2-3-9-18/h17,19H,1-16H2.
What are the key properties of 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane?
8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane has a molecular weight of 342.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 173163203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).