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

C21H26N2O2S — CID 3235210

IUPAC(5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H26N2O2S/c24-26(25,20-10-5-2-6-11-20)23-14-7-12-21(18-23)13-15-22(17-21)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/t21-/m0/s1
InChIKeyPEWXOCODKBSOFL-NRFANRHFSA-N
MW370.52 g/mol
LogP3.36
Rot. Bonds4

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

(5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane (PubChem CID 3235210) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane
PubChem CID3235210
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H26N2O2S/c24-26(25,20-10-5-2-6-11-20)23-14-7-12-21(18-23)13-15-22(17-21)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/t21-/m0/s1
InChIKeyPEWXOCODKBSOFL-NRFANRHFSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.36
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-benzyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane (CID 3235210) is (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane?
The InChIKey is PEWXOCODKBSOFL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-26(25,20-10-5-2-6-11-20)23-14-7-12-21(18-23)13-15-22(17-21)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/t21-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane has a molecular weight of 370.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3235210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).