(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C27H27N3O3S — CID 100894719

IUPAC(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@@H]1COC[C@H](C)N1CN1C(=O)[C@@]2(SCC(=O)N2c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C27H27N3O3S/c1-18-14-33-15-19(2)28(18)17-29-24-10-6-5-9-23(24)27(26(29)32)30(25(31)16-34-27)22-12-11-20-7-3-4-8-21(20)13-22/h3-13,18-19H,14-17H2,1-2H3/t18-,19+,27-/m0/s1
InChIKeyRQPWZKPRWDFAEG-CUMRGQLISA-N
MW473.60 g/mol
LogP4.19
Rot. Bonds3

About (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 100894719) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID100894719
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@@H]1COC[C@H](C)N1CN1C(=O)[C@@]2(SCC(=O)N2c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C27H27N3O3S/c1-18-14-33-15-19(2)28(18)17-29-24-10-6-5-9-23(24)27(26(29)32)30(25(31)16-34-27)22-12-11-20-7-3-4-8-21(20)13-22/h3-13,18-19H,14-17H2,1-2H3/t18-,19+,27-/m0/s1
InChIKeyRQPWZKPRWDFAEG-CUMRGQLISA-N
XLogP4.19
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

(2S)-1'-[(4-methylpiperidin-1-yl)methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 2295671
(2R)-1'-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 2295668
(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 97464897
1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750664
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
(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
3-(4-ethylphenyl)-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17380283
3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 171321059
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
(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)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816737

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 100894719) is (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is C[C@@H]1COC[C@H](C)N1CN1C(=O)[C@@]2(SCC(=O)N2c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is RQPWZKPRWDFAEG-CUMRGQLISA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-18-14-33-15-19(2)28(18)17-29-24-10-6-5-9-23(24)27(26(29)32)30(25(31)16-34-27)22-12-11-20-7-3-4-8-21(20)13-22/h3-13,18-19H,14-17H2,1-2H3/t18-,19+,27-/m0/s1.
What are the key properties of (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 473.60 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 100894719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).