2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane

C12H24N2S — CID 56701883

IUPAC2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane
SMILESCSCCCN1CCC2(CCNCC2)C1
InChIInChI=1S/C12H24N2S/c1-15-10-2-8-14-9-5-12(11-14)3-6-13-7-4-12/h13H,2-11H2,1H3
InChIKeyPSQKHEQLYMSQBK-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.82
Rot. Bonds4

About 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane

2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane (PubChem CID 56701883) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane
PubChem CID56701883
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane
SMILESCSCCCN1CCC2(CCNCC2)C1
InChIInChI=1S/C12H24N2S/c1-15-10-2-8-14-9-5-12(11-14)3-6-13-7-4-12/h13H,2-11H2,1H3
InChIKeyPSQKHEQLYMSQBK-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane (CID 56701883) is 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane is CSCCCN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is PSQKHEQLYMSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-15-10-2-8-14-9-5-12(11-14)3-6-13-7-4-12/h13H,2-11H2,1H3.
What are the key properties of 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane?
2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 228.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56701883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).