5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid

C12H22N2O5S — CID 60942022

IUPAC5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O5S/c1-2-20(18,19)14-8-6-10(7-9-14)13-11(15)4-3-5-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyZOQOMXWQEALHSE-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.17
Rot. Bonds7

About 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid

5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid (PubChem CID 60942022) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
PubChem CID60942022
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O5S/c1-2-20(18,19)14-8-6-10(7-9-14)13-11(15)4-3-5-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyZOQOMXWQEALHSE-UHFFFAOYSA-N
XLogP0.17
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
2-[2-[(1-ethylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569215
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid (CID 60942022) is 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid is CCS(=O)(=O)N1CCC(NC(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is ZOQOMXWQEALHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-2-20(18,19)14-8-6-10(7-9-14)13-11(15)4-3-5-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid?
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 306.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 60942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).