(5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one

C15H16N2O2S — CID 755923

IUPAC(5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C(C[C@@H]1NC(=S)NC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H16N2O2S/c18-13(8-12-14(19)17-15(20)16-12)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8H2,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyXFAAYBQMBLQWKN-LBPRGKRZSA-N
MW288.37 g/mol
LogP1.51
Rot. Bonds3

About (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one

(5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 755923) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID755923
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C(C[C@@H]1NC(=S)NC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H16N2O2S/c18-13(8-12-14(19)17-15(20)16-12)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8H2,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyXFAAYBQMBLQWKN-LBPRGKRZSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one (CID 755923) is (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one is O=C(C[C@@H]1NC(=S)NC1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XFAAYBQMBLQWKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-13(8-12-14(19)17-15(20)16-12)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8H2,(H2,16,17,19,20)/t12-/m0/s1.
What are the key properties of (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one?
(5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 288.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 755923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).