10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane

C16H24N2S — CID 107646279

IUPAC10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCSc1ccccc1N1CCCNC2(CCCC2)C1
InChIInChI=1S/C16H24N2S/c1-19-15-8-3-2-7-14(15)18-12-6-11-17-16(13-18)9-4-5-10-16/h2-3,7-8,17H,4-6,9-13H2,1H3
InChIKeyANTQSSQEPYHGBO-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.52
Rot. Bonds2

About 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane

10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 107646279) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
PubChem CID107646279
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCSc1ccccc1N1CCCNC2(CCCC2)C1
InChIInChI=1S/C16H24N2S/c1-19-15-8-3-2-7-14(15)18-12-6-11-17-16(13-18)9-4-5-10-16/h2-3,7-8,17H,4-6,9-13H2,1H3
InChIKeyANTQSSQEPYHGBO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane (CID 107646279) is 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane is CSc1ccccc1N1CCCNC2(CCCC2)C1.
What is the InChIKey of 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is ANTQSSQEPYHGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-19-15-8-3-2-7-14(15)18-12-6-11-17-16(13-18)9-4-5-10-16/h2-3,7-8,17H,4-6,9-13H2,1H3.
What are the key properties of 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane?
10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 276.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 107646279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).