3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride

C10H20ClN3OS — CID 3070485

IUPAC3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCCN(CC)CCCN1C(=O)CNC1=S.Cl
InChIInChI=1S/C10H19N3OS.ClH/c1-3-12(4-2)6-5-7-13-9(14)8-11-10(13)15;/h3-8H2,1-2H3,(H,11,15);1H
InChIKeyBBYNZYPNSHBFPF-UHFFFAOYSA-N
MW265.81 g/mol
LogP0.86
Rot. Bonds6

About 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride

3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride (PubChem CID 3070485) has the molecular formula C10H20ClN3OS and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride
PubChem CID3070485
Molecular FormulaC10H20ClN3OS
Molecular Weight265.81 g/mol
Exact Mass265.10
IUPAC Name3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCCN(CC)CCCN1C(=O)CNC1=S.Cl
InChIInChI=1S/C10H19N3OS.ClH/c1-3-12(4-2)6-5-7-13-9(14)8-11-10(13)15;/h3-8H2,1-2H3,(H,11,15);1H
InChIKeyBBYNZYPNSHBFPF-UHFFFAOYSA-N
XLogP0.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Aminoethyl)-2-thioxo-4-imidazolidinone
CID 3032286
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
CID 3070463
Hydantoin, 3-(3-(dimethylamino)propyl)-2-thio-, hydrochloride
CID 3070465
3-Butyl-2-thioxoimidazolidin-4-one
CID 4218308
3-Isopropyl-2-thiohydantoin
CID 2726741
Hydantoin, 3-(3-(dimethylamino)propyl)-5-methyl-2-thio-, hydrochloride
CID 3070469
Hydantoin, 3-(3-(diethylamino)propyl)-5-methyl-2-thio-, hydrochloride
CID 3070483
3-[3-(Dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
CID 3070466
1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 4362873
1-propyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 4769895
3-Isopentyl-2-thioxoimidazolidin-4-one
CID 7422641
3-(Sec-butyl)-2-thioxoimidazolidin-4-one
CID 18582246

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride (CID 3070485) is 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride is CCN(CC)CCCN1C(=O)CNC1=S.Cl.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The InChIKey is BBYNZYPNSHBFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS.ClH/c1-3-12(4-2)6-5-7-13-9(14)8-11-10(13)15;/h3-8H2,1-2H3,(H,11,15);1H.
What are the key properties of 3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride has a molecular weight of 265.81 g/mol, XLogP of 0.86, 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]-2-sulfanylideneimidazolidin-4-one;hydrochloride is sourced from PubChem (CID 3070485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).