(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane

C20H24N2O2S — CID 3233951

IUPAC(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C20H24N2O2S/c23-25(24,19-10-5-2-6-11-19)22-14-7-12-20(17-22)13-15-21(16-20)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/t20-/m0/s1
InChIKeyAXWVLTPKVNUVNM-FQEVSTJZSA-N
MW356.49 g/mol
LogP3.37
Rot. Bonds3

About (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane

(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane (PubChem CID 3233951) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane
PubChem CID3233951
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C20H24N2O2S/c23-25(24,19-10-5-2-6-11-19)22-14-7-12-20(17-22)13-15-21(16-20)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/t20-/m0/s1
InChIKeyAXWVLTPKVNUVNM-FQEVSTJZSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane (CID 3233951) is (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane?
The InChIKey is AXWVLTPKVNUVNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-25(24,19-10-5-2-6-11-19)22-14-7-12-20(17-22)13-15-21(16-20)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/t20-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane has a molecular weight of 356.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-phenyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3233951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).