6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one

C16H14N2OS — CID 129365366

IUPAC6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESC[C@H](c1cc(=O)[nH]c(=S)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H14N2OS/c1-10(14-9-15(19)18-16(20)17-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H2,17,18,19,20)/t10-/m0/s1
InChIKeyVVNPUFWKBMZFFF-JTQLQIEISA-N
MW282.37 g/mol
LogP3.74
Rot. Bonds2

About 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one

6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 129365366) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID129365366
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESC[C@H](c1cc(=O)[nH]c(=S)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H14N2OS/c1-10(14-9-15(19)18-16(20)17-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H2,17,18,19,20)/t10-/m0/s1
InChIKeyVVNPUFWKBMZFFF-JTQLQIEISA-N
XLogP3.74
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2,6-difluorophenyl)propyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 10912987
CID 175062668
CID 175062668
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
CID 121438347
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
1-(1-chloro-2-cyclopropylpropyl)naphthalene
CID 83148466
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene
CID 141400649
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 71417074

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one (CID 129365366) is 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one is C[C@H](c1cc(=O)[nH]c(=S)[nH]1)c1cccc2ccccc12.
What is the InChIKey of 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is VVNPUFWKBMZFFF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10(14-9-15(19)18-16(20)17-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H2,17,18,19,20)/t10-/m0/s1.
What are the key properties of 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-naphthalen-1-ylethyl]-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 129365366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).