6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane

C19H22N2O2S — CID 66833866

IUPAC6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
SMILESCc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1
InChIInChI=1S/C19H22N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-14-19(15-21)12-20(13-19)11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyZACIGTDVMNBTDK-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.50
Rot. Bonds4

About 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane

6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane (PubChem CID 66833866) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
PubChem CID66833866
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
SMILESCc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1
InChIInChI=1S/C19H22N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-14-19(15-21)12-20(13-19)11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyZACIGTDVMNBTDK-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane (CID 66833866) is 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane is Cc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1.
What is the InChIKey of 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is ZACIGTDVMNBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-14-19(15-21)12-20(13-19)11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 342.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 66833866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).