(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane

C16H24N2O3S — CID 125438777

IUPAC(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(CCOc1ccccc1)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C16H24N2O3S/c19-22(20,12-11-21-15-5-2-1-3-6-15)18-10-4-7-16(14-18)8-9-17-13-16/h1-3,5-6,17H,4,7-14H2/t16-/m1/s1
InChIKeyNWHKJNISZXNJLR-MRXNPFEDSA-N
MW324.45 g/mol
LogP1.47
Rot. Bonds5

About (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane

(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane (PubChem CID 125438777) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane
PubChem CID125438777
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(CCOc1ccccc1)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C16H24N2O3S/c19-22(20,12-11-21-15-5-2-1-3-6-15)18-10-4-7-16(14-18)8-9-17-13-16/h1-3,5-6,17H,4,7-14H2/t16-/m1/s1
InChIKeyNWHKJNISZXNJLR-MRXNPFEDSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane (CID 125438777) is (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane is O=S(=O)(CCOc1ccccc1)N1CCC[C@]2(CCNC2)C1.
What is the InChIKey of (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is NWHKJNISZXNJLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-22(20,12-11-21-15-5-2-1-3-6-15)18-10-4-7-16(14-18)8-9-17-13-16/h1-3,5-6,17H,4,7-14H2/t16-/m1/s1.
What are the key properties of (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane?
(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 324.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 125438777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).