1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one

C10H18N2OS — CID 116625095

IUPAC1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one
SMILESCCSCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H18N2OS/c1-4-14-8-7-11-5-6-12(9(2)3)10(11)13/h5-6,9H,4,7-8H2,1-3H3
InChIKeyXYABITUNUOIIRI-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one

1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 116625095) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one
PubChem CID116625095
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one
SMILESCCSCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H18N2OS/c1-4-14-8-7-11-5-6-12(9(2)3)10(11)13/h5-6,9H,4,7-8H2,1-3H3
InChIKeyXYABITUNUOIIRI-UHFFFAOYSA-N
XLogP1.98
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one (CID 116625095) is 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one is CCSCCn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is XYABITUNUOIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-14-8-7-11-5-6-12(9(2)3)10(11)13/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one?
1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).