1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one

C8H14N2OS — CID 142211993

IUPAC1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one
SMILESCCCN1C(=O)N(CC)CC1=S
InChIInChI=1S/C8H14N2OS/c1-3-5-10-7(12)6-9(4-2)8(10)11/h3-6H2,1-2H3
InChIKeyHGURIZOWJHGCIO-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.48
Rot. Bonds3

About 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one

1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one (PubChem CID 142211993) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one
PubChem CID142211993
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one
SMILESCCCN1C(=O)N(CC)CC1=S
InChIInChI=1S/C8H14N2OS/c1-3-5-10-7(12)6-9(4-2)8(10)11/h3-6H2,1-2H3
InChIKeyHGURIZOWJHGCIO-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one (CID 142211993) is 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one is CCCN1C(=O)N(CC)CC1=S.
What is the InChIKey of 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one?
The InChIKey is HGURIZOWJHGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-5-10-7(12)6-9(4-2)8(10)11/h3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one?
1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propyl-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 142211993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).