(5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione

C22H23NO2S — CID 102044605

IUPAC(5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione
SMILESC=C(c1cccs1)[C@H]1CCN(Cc2ccccc2)C(=O)[C@@]12CCCC2=O
InChIInChI=1S/C22H23NO2S/c1-16(19-9-6-14-26-19)18-11-13-23(15-17-7-3-2-4-8-17)21(25)22(18)12-5-10-20(22)24/h2-4,6-9,14,18H,1,5,10-13,15H2/t18-,22+/m1/s1
InChIKeyDOZMNKRNPYYZCI-GCJKJVERSA-N
MW365.50 g/mol
LogP4.55
Rot. Bonds4

About (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione

(5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione (PubChem CID 102044605) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione.

Molecular Properties

Compound Name(5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione
PubChem CID102044605
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name(5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione
SMILESC=C(c1cccs1)[C@H]1CCN(Cc2ccccc2)C(=O)[C@@]12CCCC2=O
InChIInChI=1S/C22H23NO2S/c1-16(19-9-6-14-26-19)18-11-13-23(15-17-7-3-2-4-8-17)21(25)22(18)12-5-10-20(22)24/h2-4,6-9,14,18H,1,5,10-13,15H2/t18-,22+/m1/s1
InChIKeyDOZMNKRNPYYZCI-GCJKJVERSA-N
XLogP4.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione?
The IUPAC name of (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione (CID 102044605) is (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione.
What is the SMILES notation for (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione?
The canonical SMILES for (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione is C=C(c1cccs1)[C@H]1CCN(Cc2ccccc2)C(=O)[C@@]12CCCC2=O.
What is the InChIKey of (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione?
The InChIKey is DOZMNKRNPYYZCI-GCJKJVERSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-16(19-9-6-14-26-19)18-11-13-23(15-17-7-3-2-4-8-17)21(25)22(18)12-5-10-20(22)24/h2-4,6-9,14,18H,1,5,10-13,15H2/t18-,22+/m1/s1.
What are the key properties of (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione?
(5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione has a molecular weight of 365.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-7-benzyl-10-(1-thiophen-2-ylethenyl)-7-azaspiro[4.5]decane-4,6-dione is sourced from PubChem (CID 102044605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).