2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

C15H23N3O2S — CID 134073864

IUPAC2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCc1cccc(N2CCC3(CCCN(S(C)(=O)=O)C3)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-13-5-3-6-14(16-13)17-10-8-15(11-17)7-4-9-18(12-15)21(2,19)20/h3,5-6H,4,7-12H2,1-2H3
InChIKeyCTMBPOHOARKTRY-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.64
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 134073864) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID134073864
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCc1cccc(N2CCC3(CCCN(S(C)(=O)=O)C3)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-13-5-3-6-14(16-13)17-10-8-15(11-17)7-4-9-18(12-15)21(2,19)20/h3,5-6H,4,7-12H2,1-2H3
InChIKeyCTMBPOHOARKTRY-UHFFFAOYSA-N
XLogP1.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (CID 134073864) is 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is Cc1cccc(N2CCC3(CCCN(S(C)(=O)=O)C3)C2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is CTMBPOHOARKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-13-5-3-6-14(16-13)17-10-8-15(11-17)7-4-9-18(12-15)21(2,19)20/h3,5-6H,4,7-12H2,1-2H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 309.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 134073864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).