(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C15H27N3O2S — CID 124843308

IUPAC(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)SCCN1CCC([C@@]2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C15H27N3O2S/c1-14(2,3)21-10-9-18-7-5-11(6-8-18)15(4)12(19)16-13(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20)/t15-/m1/s1
InChIKeyDMKQKFAHGKLJAS-OAHLLOKOSA-N
MW313.47 g/mol
LogP1.83
Rot. Bonds4

About (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 124843308) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID124843308
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)SCCN1CCC([C@@]2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C15H27N3O2S/c1-14(2,3)21-10-9-18-7-5-11(6-8-18)15(4)12(19)16-13(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20)/t15-/m1/s1
InChIKeyDMKQKFAHGKLJAS-OAHLLOKOSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 120982053
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45200395
5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45187506
(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42367407
2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204
5-methyl-5-(3-methylcyclopentyl)imidazolidine-2,4-dione
CID 90358544
5-methyl-5-[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56713229
1-(2-tert-butylsulfanylethyl)piperazine
CID 58842925
1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine
CID 114271372
5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 119809903
5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 154799872

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 124843308) is (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CC(C)(C)SCCN1CCC([C@@]2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DMKQKFAHGKLJAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-14(2,3)21-10-9-18-7-5-11(6-8-18)15(4)12(19)16-13(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20)/t15-/m1/s1.
What are the key properties of (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 313.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124843308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).