tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate

C24H32N4O5S — CID 146484739

IUPACtert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)N1CCC2(CCC(C3c4ccccc4-c4cncn43)C2O)CC1
InChIInChI=1S/C24H32N4O5S/c1-23(2,3)33-22(30)26-34(31,32)27-12-10-24(11-13-27)9-8-18(21(24)29)20-17-7-5-4-6-16(17)19-14-25-15-28(19)20/h4-7,14-15,18,20-21,29H,8-13H2,1-3H3,(H,26,30)
InChIKeyNXMGXYMXHCIEKK-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate

tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate (PubChem CID 146484739) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate
PubChem CID146484739
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Nametert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)N1CCC2(CCC(C3c4ccccc4-c4cncn43)C2O)CC1
InChIInChI=1S/C24H32N4O5S/c1-23(2,3)33-22(30)26-34(31,32)27-12-10-24(11-13-27)9-8-18(21(24)29)20-17-7-5-4-6-16(17)19-14-25-15-28(19)20/h4-7,14-15,18,20-21,29H,8-13H2,1-3H3,(H,26,30)
InChIKeyNXMGXYMXHCIEKK-UHFFFAOYSA-N
XLogP3.08
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-8-ethylsulfonyl-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-4-ol
CID 129296708
4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide
CID 137373726
tert-butyl N-[(2S,3S)-3-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[3.5]nonan-7-yl]carbamate
CID 137387091
tert-butyl (5R,6R)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 153484868
(2R,3S)-7-ethylsulfonyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonan-3-ol
CID 129296784
(2S,3S)-3-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonane-7-sulfonamide
CID 129296451
2,2-difluoroethyl (3S,4R)-4-hydroxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-carboxylate
CID 148916551
(5S,6R)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
CID 146484794
(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole
CID 163544588
tert-butyl 2'-hydroxy-3'-(5H-imidazo[5,1-a]isoindol-5-yl)spiro[3-azabicyclo[3.2.1]octane-8,1'-cyclobutane]-3-carboxylate
CID 137387145
(4R,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylazepan-4-ol
CID 129283212
1-[4-[(2S,3R)-3-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 146484752

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate?
The IUPAC name of tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate (CID 146484739) is tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate is CC(C)(C)OC(=O)NS(=O)(=O)N1CCC2(CCC(C3c4ccccc4-c4cncn43)C2O)CC1.
What is the InChIKey of tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate?
The InChIKey is NXMGXYMXHCIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-23(2,3)33-22(30)26-34(31,32)27-12-10-24(11-13-27)9-8-18(21(24)29)20-17-7-5-4-6-16(17)19-14-25-15-28(19)20/h4-7,14-15,18,20-21,29H,8-13H2,1-3H3,(H,26,30).
What are the key properties of tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate?
tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate has a molecular weight of 488.61 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-8-azaspiro[4.5]decan-8-yl]sulfonyl]carbamate is sourced from PubChem (CID 146484739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).