1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one

C15H18N2O2S — CID 8800662

IUPAC1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one
SMILESC[C@H](Sc1ccc2c(c1)CCC2)C(=O)N1CCNC1=O
InChIInChI=1S/C15H18N2O2S/c1-10(14(18)17-8-7-16-15(17)19)20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyQPRUUTKCDGFLPY-JTQLQIEISA-N
MW290.39 g/mol
LogP2.21
Rot. Bonds3

About 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one

1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one (PubChem CID 8800662) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one
PubChem CID8800662
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one
SMILESC[C@H](Sc1ccc2c(c1)CCC2)C(=O)N1CCNC1=O
InChIInChI=1S/C15H18N2O2S/c1-10(14(18)17-8-7-16-15(17)19)20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyQPRUUTKCDGFLPY-JTQLQIEISA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

4-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8800628
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 35041841
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46617596
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 9062916
1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 95234706
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17414628
1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 8890258
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one (CID 8800662) is 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one is C[C@H](Sc1ccc2c(c1)CCC2)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one?
The InChIKey is QPRUUTKCDGFLPY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(14(18)17-8-7-16-15(17)19)20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one?
1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one has a molecular weight of 290.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8800662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).