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

C11H21N3OS — CID 3070484

IUPAC3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)C(C)NC1=S
InChIInChI=1S/C11H21N3OS/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16/h9H,4-8H2,1-3H3,(H,12,16)
InChIKeySHOCDBMFXOUWIG-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.82
Rot. Bonds6

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

3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3070484) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3070484
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)C(C)NC1=S
InChIInChI=1S/C11H21N3OS/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16/h9H,4-8H2,1-3H3,(H,12,16)
InChIKeySHOCDBMFXOUWIG-UHFFFAOYSA-N
XLogP0.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.82
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-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one (CID 3070484) is 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one is CCN(CC)CCCN1C(=O)C(C)NC1=S.
What is the InChIKey of 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SHOCDBMFXOUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16/h9H,4-8H2,1-3H3,(H,12,16).
What are the key properties of 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one?
3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 243.38 g/mol, XLogP of 0.82, 6 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-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3070484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).