1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid

C11H17N3O6S — CID 69288109

IUPAC1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
SMILESC[C@]1(CS(=O)(=O)N2CCC(C(=O)O)CC2)NC(=O)NC1=O
InChIInChI=1S/C11H17N3O6S/c1-11(9(17)12-10(18)13-11)6-21(19,20)14-4-2-7(3-5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,17,18)/t11-/m1/s1
InChIKeyIEKWBBCMXGHSMT-LLVKDONJSA-N
MW319.34 g/mol
LogP-1.29
Rot. Bonds4

About 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid

1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid (PubChem CID 69288109) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
PubChem CID69288109
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
SMILESC[C@]1(CS(=O)(=O)N2CCC(C(=O)O)CC2)NC(=O)NC1=O
InChIInChI=1S/C11H17N3O6S/c1-11(9(17)12-10(18)13-11)6-21(19,20)14-4-2-7(3-5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,17,18)/t11-/m1/s1
InChIKeyIEKWBBCMXGHSMT-LLVKDONJSA-N
XLogP-1.29
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
CID 59794376
(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794423
5-[[4-(4-chlorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133502
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451
5-[[4-[(5-bromo-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133436
(5S)-5-methyl-5-[[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794410
5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133575
6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23133627
(5R)-5-methyl-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59710540
(5S)-5-methyl-5-[[4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 67351634
[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
CID 141057979
5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133442

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid (CID 69288109) is 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid is C[C@]1(CS(=O)(=O)N2CCC(C(=O)O)CC2)NC(=O)NC1=O.
What is the InChIKey of 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid?
The InChIKey is IEKWBBCMXGHSMT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-11(9(17)12-10(18)13-11)6-21(19,20)14-4-2-7(3-5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,17,18)/t11-/m1/s1.
What are the key properties of 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid?
1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 69288109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).