3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

C12H23N3OS — CID 3070457

IUPAC3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)CC1NC(=S)N(CCCN(C)C)C1=O
InChIInChI=1S/C12H23N3OS/c1-9(2)8-10-11(16)15(12(17)13-10)7-5-6-14(3)4/h9-10H,5-8H2,1-4H3,(H,13,17)
InChIKeyMOYHQXSNWRSCJW-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.07
Rot. Bonds6

About 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 3070457) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID3070457
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)CC1NC(=S)N(CCCN(C)C)C1=O
InChIInChI=1S/C12H23N3OS/c1-9(2)8-10-11(16)15(12(17)13-10)7-5-6-14(3)4/h9-10H,5-8H2,1-4H3,(H,13,17)
InChIKeyMOYHQXSNWRSCJW-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.07
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-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one (CID 3070457) is 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is CC(C)CC1NC(=S)N(CCCN(C)C)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MOYHQXSNWRSCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-9(2)8-10-11(16)15(12(17)13-10)7-5-6-14(3)4/h9-10H,5-8H2,1-4H3,(H,13,17).
What are the key properties of 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one?
3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 257.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3070457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).