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

C8H15N3OS — CID 3070466

IUPAC3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
SMILESCN(C)CCCN1C(=O)CNC1=S
InChIInChI=1S/C8H15N3OS/c1-10(2)4-3-5-11-7(12)6-9-8(11)13/h3-6H2,1-2H3,(H,9,13)
InChIKeyQCXFCDHVLOWDSH-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.35
Rot. Bonds4

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

3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3070466) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID3070466
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
SMILESCN(C)CCCN1C(=O)CNC1=S
InChIInChI=1S/C8H15N3OS/c1-10(2)4-3-5-11-7(12)6-9-8(11)13/h3-6H2,1-2H3,(H,9,13)
InChIKeyQCXFCDHVLOWDSH-UHFFFAOYSA-N
XLogP-0.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.35
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

1-Acetyl-2-thiohydantoin
CID 684551
3-(2-Aminoethyl)-2-thioxo-4-imidazolidinone
CID 3032286
Methylthiohydantoin
CID 3037576
Hydantoin, 3-(3-(dimethylamino)propyl)-2-thio-, hydrochloride
CID 3070465
1-Acetylimidazolidinethione
CID 1540450
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
Hydantoin, 3-(3-(diethylamino)propyl)-2-thio-, hydrochloride
CID 3070485
3-Acetyl-2-sulfanylideneimidazolidin-4-one
CID 11217391
1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 4362873

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one (CID 3070466) is 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one is CN(C)CCCN1C(=O)CNC1=S.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QCXFCDHVLOWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-10(2)4-3-5-11-7(12)6-9-8(11)13/h3-6H2,1-2H3,(H,9,13).
What are the key properties of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one?
3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 201.29 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3070466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).