(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C15H20N2O4S — CID 52544059

IUPAC(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O4S/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyGYLRTWBLDPJLEK-ZDUSSCGKSA-N
MW324.40 g/mol
LogP1.43
Rot. Bonds6

About (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 52544059) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID52544059
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O4S/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyGYLRTWBLDPJLEK-ZDUSSCGKSA-N
XLogP1.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.43
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

(5s)-N-[(Trans-4-Aminocyclohexyl)methyl]-1,3-Dioxo-2-[2-(Phenylsulfonyl)ethyl]-2,3,5,8-Tetrahydro-1h-[1,2,4]triazolo[1,2-A]pyridazine-5-Carboxamide
CID 5287928
2-[4-(Benzenesulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9836943
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4829968
3-[2-(2-Fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7611236
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 8384878
(2S)-1-acetyl-N-[(2S)-1-[[(2S)-1-[[(E,3S)-5-amino-1-(benzenesulfonyl)-5-oxopent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 44421214
(2S)-1-acetyl-N-[(2S)-6-amino-1-[[(2S)-1-[[(E,3S)-5-amino-1-(benzenesulfonyl)-5-oxopent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
CID 44421215
2-methyl-N-(2-methylpropyl)-1-(2-phenylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 49795721
(2S)-2-acetamido-N-[(2S)-1-[[(E,3S)-6-(benzenesulfonyl)-1-methylsulfanyl-4-oxohex-5-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 90663560
5-[1-[3-(4-Fluorophenyl)sulfanylpropanoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 72113278
(2R)-2-(benzenesulfonylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 97551231
(2R)-2-amino-1-[(2R,4S)-4-fluoro-2-isocyanopyrrolidin-1-yl]-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfonyl]butan-1-one
CID 58735775

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 52544059) is (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O.
What is the InChIKey of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is GYLRTWBLDPJLEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 324.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 52544059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).