(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C26H33N3O6S — CID 92667299

IUPAC(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESC[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC[C@@H]5CCCO5)CC4)cc3c(C(=O)O)c2C1
InChIInChI=1S/C26H33N3O6S/c1-16-4-6-22-20(13-16)24(26(31)32)21-14-19(5-7-23(21)28-22)36(33,34)29-10-8-17(9-11-29)25(30)27-15-18-3-2-12-35-18/h5,7,14,16-18H,2-4,6,8-13,15H2,1H3,(H,27,30)(H,31,32)/t16-,18+/m1/s1
InChIKeyHSOFUPNNSNXGDQ-AEFFLSMTSA-N
MW515.63 g/mol
LogP2.75
Rot. Bonds6

About (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 92667299) has the molecular formula C26H33N3O6S and a molecular weight of 515.63 g/mol. Its IUPAC name is (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID92667299
Molecular FormulaC26H33N3O6S
Molecular Weight515.63 g/mol
Exact Mass515.21
IUPAC Name(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESC[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC[C@@H]5CCCO5)CC4)cc3c(C(=O)O)c2C1
InChIInChI=1S/C26H33N3O6S/c1-16-4-6-22-20(13-16)24(26(31)32)21-14-19(5-7-23(21)28-22)36(33,34)29-10-8-17(9-11-29)25(30)27-15-18-3-2-12-35-18/h5,7,14,16-18H,2-4,6,8-13,15H2,1H3,(H,27,30)(H,31,32)/t16-,18+/m1/s1
InChIKeyHSOFUPNNSNXGDQ-AEFFLSMTSA-N
XLogP2.75
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.63
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667295
(2R)-7-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667303
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 53207007
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92893434
7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 20888184
N-[[(2S)-oxolan-2-yl]methyl]-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 95085367
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2128146
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642629
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 92667299) is (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC[C@@H]5CCCO5)CC4)cc3c(C(=O)O)c2C1.
What is the InChIKey of (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is HSOFUPNNSNXGDQ-AEFFLSMTSA-N. The full InChI is InChI=1S/C26H33N3O6S/c1-16-4-6-22-20(13-16)24(26(31)32)21-14-19(5-7-23(21)28-22)36(33,34)29-10-8-17(9-11-29)25(30)27-15-18-3-2-12-35-18/h5,7,14,16-18H,2-4,6,8-13,15H2,1H3,(H,27,30)(H,31,32)/t16-,18+/m1/s1.
What are the key properties of (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 515.63 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 92667299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).