4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide

C15H18N4O2S — CID 137374322

IUPAC4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C15H18N4O2S/c16-22(20,21)18-7-5-11(6-8-18)15-13-4-2-1-3-12(13)14-9-17-10-19(14)15/h1-4,9-11,15H,5-8H2,(H2,16,20,21)
InChIKeyOXWAZOGAVXQWNB-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.37
Rot. Bonds2

About 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide

4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide (PubChem CID 137374322) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
PubChem CID137374322
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C15H18N4O2S/c16-22(20,21)18-7-5-11(6-8-18)15-13-4-2-1-3-12(13)14-9-17-10-19(14)15/h1-4,9-11,15H,5-8H2,(H2,16,20,21)
InChIKeyOXWAZOGAVXQWNB-UHFFFAOYSA-N
XLogP1.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-4-hydroxy-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]azepane-1-sulfonamide
CID 129282470
(4R,5S)-4-hydroxy-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]azepane-1-sulfonamide
CID 129282399
(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137405669
6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide
CID 137374428
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide
CID 137373726
(3S,4S)-3-hydroxy-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidine-1-sulfonamide
CID 129282540
(3S,4S)-3-hydroxy-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidine-1-sulfonamide
CID 129282644
4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
CID 137374425
(2S,3S)-3-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonane-7-sulfonamide
CID 129296451
(2S,3R)-3-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonane-7-sulfonamide;(2R,3S)-3-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonane-7-sulfonamide
CID 157198361
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520

Frequently Asked Questions

What is the IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide (CID 137374322) is 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(C2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
The InChIKey is OXWAZOGAVXQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-22(20,21)18-7-5-11(6-8-18)15-13-4-2-1-3-12(13)14-9-17-10-19(14)15/h1-4,9-11,15H,5-8H2,(H2,16,20,21).
What are the key properties of 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 137374322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).