2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid

C14H24N2O5S2 — CID 119210406

IUPAC2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCSCC2CC(=O)O)C1
InChIInChI=1S/C14H24N2O5S2/c1-2-23(20,21)15-5-3-4-11(9-15)14(19)16-6-7-22-10-12(16)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyFZDARCRBNPDBAX-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.47
Rot. Bonds5

About 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 119210406) has the molecular formula C14H24N2O5S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID119210406
Molecular FormulaC14H24N2O5S2
Molecular Weight364.49 g/mol
Exact Mass364.11
IUPAC Name2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCSCC2CC(=O)O)C1
InChIInChI=1S/C14H24N2O5S2/c1-2-23(20,21)15-5-3-4-11(9-15)14(19)16-6-7-22-10-12(16)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyFZDARCRBNPDBAX-UHFFFAOYSA-N
XLogP0.47
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 81134562
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210383
1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137754
2-[4-(oxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444452
2-[4-(3-aminocyclopentanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66445748
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445066
2-[4-(1-methyl-2-oxopiperidine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210388
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 126819210
2-[4-(2-methylpyrrolidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444343
2-[4-(5-methyloxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 114824511
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid (CID 119210406) is 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid is CCS(=O)(=O)N1CCCC(C(=O)N2CCSCC2CC(=O)O)C1.
What is the InChIKey of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is FZDARCRBNPDBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S2/c1-2-23(20,21)15-5-3-4-11(9-15)14(19)16-6-7-22-10-12(16)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 364.49 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).