1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one

C8H14N2OS — CID 163865906

IUPAC1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one
SMILESCCN1CCN(CC(C)=S)C1=O
InChIInChI=1S/C8H14N2OS/c1-3-9-4-5-10(8(9)11)6-7(2)12/h3-6H2,1-2H3
InChIKeyPGOWEGWZKSNVDO-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.13
Rot. Bonds3

About 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one

1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one (PubChem CID 163865906) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one
PubChem CID163865906
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one
SMILESCCN1CCN(CC(C)=S)C1=O
InChIInChI=1S/C8H14N2OS/c1-3-9-4-5-10(8(9)11)6-7(2)12/h3-6H2,1-2H3
InChIKeyPGOWEGWZKSNVDO-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-iodoimidazolidin-2-one
CID 174258160
3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 139841119
1-(3-chloropropyl)-3-ethylimidazolidin-2-one
CID 15078469
3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid
CID 112546783
1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea
CID 131857631
1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
CID 82412046
1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one
CID 112546491
1-[(Z)-but-2-enyl]-3-[(Z)-pent-2-enyl]imidazolidin-2-one
CID 162358347
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
1,3-dibutylimidazolidin-2-one
CID 20887
2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
CID 19767348
1-ethyl-3-heptanoylimidazolidin-2-one
CID 139816789

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one (CID 163865906) is 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one is CCN1CCN(CC(C)=S)C1=O.
What is the InChIKey of 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one?
The InChIKey is PGOWEGWZKSNVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-9-4-5-10(8(9)11)6-7(2)12/h3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one?
1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one is sourced from PubChem (CID 163865906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).