(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

C27H31N3O5S — CID 26414438

IUPAC(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
SMILESCCCOc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC4(CC2)OCCO4)c2ccccc23)cc1
InChIInChI=1S/C27H31N3O5S/c1-2-15-33-21-9-7-20(8-10-21)30-24(31)18-36-27(30)22-5-3-4-6-23(22)29(25(27)32)19-28-13-11-26(12-14-28)34-16-17-35-26/h3-10H,2,11-19H2,1H3/t27-/m0/s1
InChIKeyLAEDTMVAXXMEAU-MHZLTWQESA-N
MW509.63 g/mol
LogP3.55
Rot. Bonds6

About (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

(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 (PubChem CID 26414438) has the molecular formula C27H31N3O5S and a molecular weight of 509.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID26414438
Molecular FormulaC27H31N3O5S
Molecular Weight509.63 g/mol
Exact Mass509.20
IUPAC Name(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
SMILESCCCOc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC4(CC2)OCCO4)c2ccccc23)cc1
InChIInChI=1S/C27H31N3O5S/c1-2-15-33-21-9-7-20(8-10-21)30-24(31)18-36-27(30)22-5-3-4-6-23(22)29(25(27)32)19-28-13-11-26(12-14-28)34-16-17-35-26/h3-10H,2,11-19H2,1H3/t27-/m0/s1
InChIKeyLAEDTMVAXXMEAU-MHZLTWQESA-N
XLogP3.55
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26415725
(2S)-1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92650910
(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
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-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816729
(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
(2S)-1'-[(4-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92515544
(2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816737
3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 171321059

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCOc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC4(CC2)OCCO4)c2ccccc23)cc1.
What is the InChIKey of (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?
The InChIKey is LAEDTMVAXXMEAU-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N3O5S/c1-2-15-33-21-9-7-20(8-10-21)30-24(31)18-36-27(30)22-5-3-4-6-23(22)29(25(27)32)19-28-13-11-26(12-14-28)34-16-17-35-26/h3-10H,2,11-19H2,1H3/t27-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 509.63 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 26414438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).