(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide

C15H18N4O3S — CID 137405669

IUPAC(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC[C@H](C2c3ccccc3-c3cncn32)[C@@H](O)C1
InChIInChI=1S/C15H18N4O3S/c16-23(21,22)18-6-5-12(14(20)8-18)15-11-4-2-1-3-10(11)13-7-17-9-19(13)15/h1-4,7,9,12,14-15,20H,5-6,8H2,(H2,16,21,22)/t12-,14-,15?/m0/s1
InChIKeyBECJLVIKPNUJQY-XRJCJLGXSA-N
MW334.40 g/mol
LogP0.34
Rot. Bonds2

About (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide

(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide (PubChem CID 137405669) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
PubChem CID137405669
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC[C@H](C2c3ccccc3-c3cncn32)[C@@H](O)C1
InChIInChI=1S/C15H18N4O3S/c16-23(21,22)18-6-5-12(14(20)8-18)15-11-4-2-1-3-10(11)13-7-17-9-19(13)15/h1-4,7,9,12,14-15,20H,5-6,8H2,(H2,16,21,22)/t12-,14-,15?/m0/s1
InChIKeyBECJLVIKPNUJQY-XRJCJLGXSA-N
XLogP0.34
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide with MolForge

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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
(3S,4S)-1-cyclopropylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-3-ol
CID 129282491
(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
(3R,4R)-1-ethylsulfonyl-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-3-ol
CID 137405648
1-ethylsulfonyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-4-ol;1-ethylsulfonyl-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-3-ol
CID 161314007
(4R,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylazepan-4-ol
CID 129283212
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
(3S,4S)-4-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methylpiperidin-3-ol
CID 137405937
(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol
CID 129282505
4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide
CID 137373726

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide (CID 137405669) is (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide is NS(=O)(=O)N1CC[C@H](C2c3ccccc3-c3cncn32)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
The InChIKey is BECJLVIKPNUJQY-XRJCJLGXSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-23(21,22)18-6-5-12(14(20)8-18)15-11-4-2-1-3-10(11)13-7-17-9-19(13)15/h1-4,7,9,12,14-15,20H,5-6,8H2,(H2,16,21,22)/t12-,14-,15?/m0/s1.
What are the key properties of (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide?
(3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 137405669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).