(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

C17H23N3O2S — CID 129433533

IUPAC(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccn2)NC(=O)N(CCSC2CCCCC2)C1=O
InChIInChI=1S/C17H23N3O2S/c1-17(14-9-5-6-10-18-14)15(21)20(16(22)19-17)11-12-23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyPQSROCTVTNPMHA-KRWDZBQOSA-N
MW333.46 g/mol
LogP2.91
Rot. Bonds5

About (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 129433533) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID129433533
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccn2)NC(=O)N(CCSC2CCCCC2)C1=O
InChIInChI=1S/C17H23N3O2S/c1-17(14-9-5-6-10-18-14)15(21)20(16(22)19-17)11-12-23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyPQSROCTVTNPMHA-KRWDZBQOSA-N
XLogP2.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 124735019
(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 124735018
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 139004992
5,5-dimethyl-3-(2-pyridin-2-ylsulfanylethyl)imidazolidine-2,4-dione
CID 35358202
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 71914279
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 96521180

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 129433533) is (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is C[C@@]1(c2ccccn2)NC(=O)N(CCSC2CCCCC2)C1=O.
What is the InChIKey of (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is PQSROCTVTNPMHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(14-9-5-6-10-18-14)15(21)20(16(22)19-17)11-12-23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 333.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 129433533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).