3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

C13H25N3OS — CID 3070460

IUPAC3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)C(C(C)C)NC1=S
InChIInChI=1S/C13H25N3OS/c1-5-15(6-2)8-7-9-16-12(17)11(10(3)4)14-13(16)18/h10-11H,5-9H2,1-4H3,(H,14,18)
InChIKeyIFEBVGPZAQPJKH-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.46
Rot. Bonds7

About 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3070460) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID3070460
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)C(C(C)C)NC1=S
InChIInChI=1S/C13H25N3OS/c1-5-15(6-2)8-7-9-16-12(17)11(10(3)4)14-13(16)18/h10-11H,5-9H2,1-4H3,(H,14,18)
InChIKeyIFEBVGPZAQPJKH-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one (CID 3070460) is 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one is CCN(CC)CCCN1C(=O)C(C(C)C)NC1=S.
What is the InChIKey of 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IFEBVGPZAQPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-15(6-2)8-7-9-16-12(17)11(10(3)4)14-13(16)18/h10-11H,5-9H2,1-4H3,(H,14,18).
What are the key properties of 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 271.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3070460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).