1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

C15H19N3O4S — CID 9232063

IUPAC1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCC[C@H](O)C2)C(=O)N1CCc1cccs1
InChIInChI=1S/C15H19N3O4S/c19-11-3-1-6-16(9-11)10-18-14(21)13(20)17(15(18)22)7-5-12-4-2-8-23-12/h2,4,8,11,19H,1,3,5-7,9-10H2/t11-/m0/s1
InChIKeyDZRTYYNFSYEQIW-NSHDSACASA-N
MW337.40 g/mol
LogP0.50
Rot. Bonds5

About 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione (PubChem CID 9232063) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
PubChem CID9232063
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCC[C@H](O)C2)C(=O)N1CCc1cccs1
InChIInChI=1S/C15H19N3O4S/c19-11-3-1-6-16(9-11)10-18-14(21)13(20)17(15(18)22)7-5-12-4-2-8-23-12/h2,4,8,11,19H,1,3,5-7,9-10H2/t11-/m0/s1
InChIKeyDZRTYYNFSYEQIW-NSHDSACASA-N
XLogP0.50
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-thiophen-2-ylethyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9244891
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 42947697
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9401579
(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682588
(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 95780872
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
CID 22115174
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium
CID 9317969
3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
CID 110896289

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione (CID 9232063) is 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(CN2CCC[C@H](O)C2)C(=O)N1CCc1cccs1.
What is the InChIKey of 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The InChIKey is DZRTYYNFSYEQIW-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-11-3-1-6-16(9-11)10-18-14(21)13(20)17(15(18)22)7-5-12-4-2-8-23-12/h2,4,8,11,19H,1,3,5-7,9-10H2/t11-/m0/s1.
What are the key properties of 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione has a molecular weight of 337.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 9232063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).