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

C15H21N3O2S — CID 95780872

IUPAC(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESC[C@@]1([C@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O
InChIInChI=1S/C15H21N3O2S/c1-15(13(19)16-14(20)17-15)11-4-2-7-18(10-11)8-6-12-5-3-9-21-12/h3,5,9,11H,2,4,6-8,10H2,1H3,(H2,16,17,19,20)/t11-,15-/m0/s1
InChIKeyIXWZTEUDGAZPDQ-NHYWBVRUSA-N
MW307.42 g/mol
LogP1.60
Rot. Bonds4

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

(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 95780872) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID95780872
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESC[C@@]1([C@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O
InChIInChI=1S/C15H21N3O2S/c1-15(13(19)16-14(20)17-15)11-4-2-7-18(10-11)8-6-12-5-3-9-21-12/h3,5,9,11H,2,4,6-8,10H2,1H3,(H2,16,17,19,20)/t11-,15-/m0/s1
InChIKeyIXWZTEUDGAZPDQ-NHYWBVRUSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 95780872) is (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione is C[C@@]1([C@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is IXWZTEUDGAZPDQ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(13(19)16-14(20)17-15)11-4-2-7-18(10-11)8-6-12-5-3-9-21-12/h3,5,9,11H,2,4,6-8,10H2,1H3,(H2,16,17,19,20)/t11-,15-/m0/s1.
What are the key properties of (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 307.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95780872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).