(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C31H31N3O5S — CID 98228594

IUPAC(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS[C@]2(C(=O)N(CN3CCC4(CC3)OCCO4)c3ccccc32)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H31N3O5S/c35-28-21-40-31(34(28)24-10-12-25(13-11-24)37-20-23-6-2-1-3-7-23)26-8-4-5-9-27(26)33(29(31)36)22-32-16-14-30(15-17-32)38-18-19-39-30/h1-13H,14-22H2/t31-/m1/s1
InChIKeyKEMSEJBBTSRVDN-WJOKGBTCSA-N
MW557.67 g/mol
LogP4.34
Rot. Bonds6

About (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 98228594) has the molecular formula C31H31N3O5S and a molecular weight of 557.67 g/mol. Its IUPAC name is (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID98228594
Molecular FormulaC31H31N3O5S
Molecular Weight557.67 g/mol
Exact Mass557.20
IUPAC Name(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS[C@]2(C(=O)N(CN3CCC4(CC3)OCCO4)c3ccccc32)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H31N3O5S/c35-28-21-40-31(34(28)24-10-12-25(13-11-24)37-20-23-6-2-1-3-7-23)26-8-4-5-9-27(26)33(29(31)36)22-32-16-14-30(15-17-32)38-18-19-39-30/h1-13H,14-22H2/t31-/m1/s1
InChIKeyKEMSEJBBTSRVDN-WJOKGBTCSA-N
XLogP4.34
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

(2S)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-propoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26414438
(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26415725
1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750664
(2S)-1'-[(4-benzylpiperidin-1-yl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816729
1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 4223491
(2S)-1'-[(4-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92515544
3-(4-ethylphenyl)-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17380283
(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 97464897
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
(2S)-1'-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92905385
(2S)-3-(4-ethoxyphenyl)-1'-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98527293
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 98228594) is (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS[C@]2(C(=O)N(CN3CCC4(CC3)OCCO4)c3ccccc32)N1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is KEMSEJBBTSRVDN-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H31N3O5S/c35-28-21-40-31(34(28)24-10-12-25(13-11-24)37-20-23-6-2-1-3-7-23)26-8-4-5-9-27(26)33(29(31)36)22-32-16-14-30(15-17-32)38-18-19-39-30/h1-13H,14-22H2/t31-/m1/s1.
What are the key properties of (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 557.67 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 98228594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).