(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C13H14N2O2S — CID 172524175

IUPAC(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=S)N1C
InChIInChI=1S/C13H14N2O2S/c1-9(16)8-11-12(17)15(13(18)14(11)2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1
InChIKeyRTNZJJMSSFOJRP-NSHDSACASA-N
MW262.33 g/mol
LogP1.60
Rot. Bonds3

About (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 172524175) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID172524175
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=S)N1C
InChIInChI=1S/C13H14N2O2S/c1-9(16)8-11-12(17)15(13(18)14(11)2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1
InChIKeyRTNZJJMSSFOJRP-NSHDSACASA-N
XLogP1.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 51469362
2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
CID 6939094
2-[3-(3-methoxypropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 18801819
2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
CID 7456206
5-(2-chloroacetyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054936
ethyl N-[5-[2-(methylamino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]carbamate
CID 24797225
2-[(4S)-3-[(2-acetamidoacetyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(3-chlorophenyl)acetamide
CID 25305618
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4202324
N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 175653787
3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 101436550
N-[(5S)-5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide
CID 1348212
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 172524175) is (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is CC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=S)N1C.
What is the InChIKey of (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RTNZJJMSSFOJRP-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(16)8-11-12(17)15(13(18)14(11)2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 262.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 172524175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).