5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one

C14H17N3O2S — CID 3005289

IUPAC5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2ccco2)NC(=S)N1CN1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13-12(9-11-5-4-8-19-11)15-14(20)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,20)
InChIKeySIJVLEVUCKQMBZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.78
Rot. Bonds3

About 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one

5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 3005289) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID3005289
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2ccco2)NC(=S)N1CN1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13-12(9-11-5-4-8-19-11)15-14(20)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,20)
InChIKeySIJVLEVUCKQMBZ-UHFFFAOYSA-N
XLogP1.78
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 3005289) is 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one is O=C1C(=Cc2ccco2)NC(=S)N1CN1CCCCC1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SIJVLEVUCKQMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13-12(9-11-5-4-8-19-11)15-14(20)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,20).
What are the key properties of 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 291.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3005289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).