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

C14H24N2O6S — CID 119248008

IUPAC2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCOC(CC(=O)O)C2)C1
InChIInChI=1S/C14H24N2O6S/c1-2-23(20,21)16-5-3-4-11(9-16)14(19)15-6-7-22-12(10-15)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyRXEXGQIKHCMGHW-UHFFFAOYSA-N
MW348.42 g/mol
LogP-0.25
Rot. Bonds5

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

2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119248008) has the molecular formula C14H24N2O6S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119248008
Molecular FormulaC14H24N2O6S
Molecular Weight348.42 g/mol
Exact Mass348.14
IUPAC Name2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCOC(CC(=O)O)C2)C1
InChIInChI=1S/C14H24N2O6S/c1-2-23(20,21)16-5-3-4-11(9-16)14(19)15-6-7-22-12(10-15)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyRXEXGQIKHCMGHW-UHFFFAOYSA-N
XLogP-0.25
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247976
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
CID 119248477
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid (CID 119248008) is 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid is CCS(=O)(=O)N1CCCC(C(=O)N2CCOC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is RXEXGQIKHCMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6S/c1-2-23(20,21)16-5-3-4-11(9-16)14(19)15-6-7-22-12(10-15)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 348.42 g/mol, XLogP of -0.25, 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)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).