1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one

C16H28N4O2S2 — CID 161355808

IUPAC1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one
SMILESCCN1CC(=O)N(C(C)C)C1=S.CCN1CC(=S)N(C(C)C)C1=O
InChIInChI=1S/2C8H14N2OS/c1-4-9-5-7(12)10(6(2)3)8(9)11;1-4-9-5-7(11)10(6(2)3)8(9)12/h2*6H,4-5H2,1-3H3
InChIKeyVONIDMLRHNBBGH-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.32
Rot. Bonds4

About 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one

1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one (PubChem CID 161355808) has the molecular formula C16H28N4O2S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one
PubChem CID161355808
Molecular FormulaC16H28N4O2S2
Molecular Weight372.56 g/mol
Exact Mass372.17
IUPAC Name1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one
SMILESCCN1CC(=O)N(C(C)C)C1=S.CCN1CC(=S)N(C(C)C)C1=O
InChIInChI=1S/2C8H14N2OS/c1-4-9-5-7(12)10(6(2)3)8(9)11;1-4-9-5-7(11)10(6(2)3)8(9)12/h2*6H,4-5H2,1-3H3
InChIKeyVONIDMLRHNBBGH-UHFFFAOYSA-N
XLogP2.32
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid
CID 63647102
1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
CID 129310429
1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one
CID 142211993
1-ethyl-3-sulfanylimidazolidine-2,4-dione
CID 142020471
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
1-ethyl-3-[5-[2-[5-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-3,3-dimethylpentoxy]ethoxy]-3,3-dimethylpentyl]imidazolidine-2,4-dione
CID 22737193
1,3-dimethylimidazolidine-2,4-dione;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
CID 142135438
1-ethyl-2-sulfanylidene-3-(2,4,5-trimethylphenyl)imidazolidin-4-one
CID 11357492
2,12-bis(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2,4,10,12-tetramethyltridecane-5,9-dione
CID 88581282
1-ethyl-3-tripropylsilylimidazolidine-2,4-dione
CID 140848592
3-[2-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-3,3-dimethylheptan-4-yl]oxy-2,2-dimethylhexanoic acid
CID 70838999
1-ethyl-3-[12-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,8-dihydroxy-2,2,11,11-tetramethyldodecyl]-2-sulfanylideneimidazolidin-4-one
CID 59659685

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one (CID 161355808) is 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one is CCN1CC(=O)N(C(C)C)C1=S.CCN1CC(=S)N(C(C)C)C1=O.
What is the InChIKey of 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one?
The InChIKey is VONIDMLRHNBBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2OS/c1-4-9-5-7(12)10(6(2)3)8(9)11;1-4-9-5-7(11)10(6(2)3)8(9)12/h2*6H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one?
1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one has a molecular weight of 372.56 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 161355808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).