2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid

C24H25NO6S — CID 118798351

IUPAC2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCS(=O)(=O)CC2
InChIInChI=1S/C24H25NO6S/c26-22(27)21-13-25(15-24(21)9-11-32(29,30)12-10-24)23(28)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20-21H,9-15H2,(H,26,27)
InChIKeyVFJGNTQGKHJTNA-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.15
Rot. Bonds3

About 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid

2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 118798351) has the molecular formula C24H25NO6S and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID118798351
Molecular FormulaC24H25NO6S
Molecular Weight455.53 g/mol
Exact Mass455.14
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCS(=O)(=O)CC2
InChIInChI=1S/C24H25NO6S/c26-22(27)21-13-25(15-24(21)9-11-32(29,30)12-10-24)23(28)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20-21H,9-15H2,(H,26,27)
InChIKeyVFJGNTQGKHJTNA-UHFFFAOYSA-N
XLogP3.15
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 169448757
5-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid
CID 178192107
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
CID 155820155
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195231
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid (CID 118798351) is 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCS(=O)(=O)CC2.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is VFJGNTQGKHJTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6S/c26-22(27)21-13-25(15-24(21)9-11-32(29,30)12-10-24)23(28)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20-21H,9-15H2,(H,26,27).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid?
2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 455.53 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 118798351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).