(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one

C11H14N2OS — CID 76971755

IUPAC(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)CN1CCS
InChIInChI=1S/C11H14N2OS/c14-11-12-10(8-13(11)6-7-15)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14)/t10-/m1/s1
InChIKeyKKEBXNMGHUCPEZ-SNVBAGLBSA-N
MW222.31 g/mol
LogP1.68
Rot. Bonds3

About (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one

(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 76971755) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID76971755
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)CN1CCS
InChIInChI=1S/C11H14N2OS/c14-11-12-10(8-13(11)6-7-15)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14)/t10-/m1/s1
InChIKeyKKEBXNMGHUCPEZ-SNVBAGLBSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one (CID 76971755) is (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one is O=C1N[C@@H](c2ccccc2)CN1CCS.
What is the InChIKey of (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is KKEBXNMGHUCPEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11-12-10(8-13(11)6-7-15)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14)/t10-/m1/s1.
What are the key properties of (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one?
(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 222.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 76971755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).