(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one

C12H16N2OS — CID 155543700

IUPAC(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
SMILESCSCCN1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2OS/c1-16-8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyIZFCJBVYODRRRU-LLVKDONJSA-N
MW236.34 g/mol
LogP2.12
Rot. Bonds4

About (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one

(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one (PubChem CID 155543700) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
PubChem CID155543700
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
SMILESCSCCN1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2OS/c1-16-8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyIZFCJBVYODRRRU-LLVKDONJSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one?
The IUPAC name of (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one (CID 155543700) is (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one is CSCCN1C[C@H](c2ccccc2)NC1=O.
What is the InChIKey of (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one?
The InChIKey is IZFCJBVYODRRRU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-16-8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one?
(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one has a molecular weight of 236.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 155543700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).