1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one

C13H22N4O3S — CID 71329737

IUPAC1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(CN2CCOCC2)C(=S)N1CN1CCOCC1
InChIInChI=1S/C13H22N4O3S/c18-12-9-16(10-14-1-5-19-6-2-14)13(21)17(12)11-15-3-7-20-8-4-15/h1-11H2
InChIKeyYRACCWLZYYBGIP-UHFFFAOYSA-N
MW314.41 g/mol
LogP-1.01
Rot. Bonds4

About 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one

1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 71329737) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID71329737
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(CN2CCOCC2)C(=S)N1CN1CCOCC1
InChIInChI=1S/C13H22N4O3S/c18-12-9-16(10-14-1-5-19-6-2-14)13(21)17(12)11-15-3-7-20-8-4-15/h1-11H2
InChIKeyYRACCWLZYYBGIP-UHFFFAOYSA-N
XLogP-1.01
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 71329737) is 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one is O=C1CN(CN2CCOCC2)C(=S)N1CN1CCOCC1.
What is the InChIKey of 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YRACCWLZYYBGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c18-12-9-16(10-14-1-5-19-6-2-14)13(21)17(12)11-15-3-7-20-8-4-15/h1-11H2.
What are the key properties of 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 314.41 g/mol, XLogP of -1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 71329737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).