5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione

C15H18N2O4S — CID 100820359

IUPAC5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H18N2O4S/c1-2-10-5-3-4-8-17(10)22(20,21)11-6-7-12-13(9-11)15(19)16-14(12)18/h6-7,9-10H,2-5,8H2,1H3,(H,16,18,19)/t10-/m1/s1
InChIKeyXMNXMXSOWKTVHA-SNVBAGLBSA-N
MW322.39 g/mol
LogP1.52
Rot. Bonds3

About 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione

5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione (PubChem CID 100820359) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
PubChem CID100820359
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H18N2O4S/c1-2-10-5-3-4-8-17(10)22(20,21)11-6-7-12-13(9-11)15(19)16-14(12)18/h6-7,9-10H,2-5,8H2,1H3,(H,16,18,19)/t10-/m1/s1
InChIKeyXMNXMXSOWKTVHA-SNVBAGLBSA-N
XLogP1.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 110604707
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
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5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
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CID 4687588
(2R)-2-ethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 7324167
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
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2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione?
The IUPAC name of 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione (CID 100820359) is 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione.
What is the SMILES notation for 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione?
The canonical SMILES for 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione?
The InChIKey is XMNXMXSOWKTVHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-2-10-5-3-4-8-17(10)22(20,21)11-6-7-12-13(9-11)15(19)16-14(12)18/h6-7,9-10H,2-5,8H2,1H3,(H,16,18,19)/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione?
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione has a molecular weight of 322.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione is sourced from PubChem (CID 100820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).