1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one

C14H18N2O2S — CID 8972263

IUPAC1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
SMILESCc1ccccc1CS[C@@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C14H18N2O2S/c1-10-5-3-4-6-12(10)9-19-11(2)13(17)16-8-7-15-14(16)18/h3-6,11H,7-9H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyUSZTXJDJTPJLLJ-NSHDSACASA-N
MW278.38 g/mol
LogP2.17
Rot. Bonds4

About 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one

1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 8972263) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
PubChem CID8972263
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
SMILESCc1ccccc1CS[C@@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C14H18N2O2S/c1-10-5-3-4-6-12(10)9-19-11(2)13(17)16-8-7-15-14(16)18/h3-6,11H,7-9H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyUSZTXJDJTPJLLJ-NSHDSACASA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one (CID 8972263) is 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one is Cc1ccccc1CS[C@@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is USZTXJDJTPJLLJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-5-3-4-6-12(10)9-19-11(2)13(17)16-8-7-15-14(16)18/h3-6,11H,7-9H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8972263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).