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

C8H16ClN3OS — CID 3070465

IUPAC3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CNC1=S.Cl
InChIInChI=1S/C8H15N3OS.ClH/c1-10(2)4-3-5-11-7(12)6-9-8(11)13;/h3-6H2,1-2H3,(H,9,13);1H
InChIKeyDLKTWPILTHWFGR-UHFFFAOYSA-N
MW237.76 g/mol
LogP0.08
Rot. Bonds4

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

3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride (PubChem CID 3070465) has the molecular formula C8H16ClN3OS and a molecular weight of 237.76 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride
PubChem CID3070465
Molecular FormulaC8H16ClN3OS
Molecular Weight237.76 g/mol
Exact Mass237.07
IUPAC Name3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CNC1=S.Cl
InChIInChI=1S/C8H15N3OS.ClH/c1-10(2)4-3-5-11-7(12)6-9-8(11)13;/h3-6H2,1-2H3,(H,9,13);1H
InChIKeyDLKTWPILTHWFGR-UHFFFAOYSA-N
XLogP0.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride (CID 3070465) is 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride is CN(C)CCCN1C(=O)CNC1=S.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The InChIKey is DLKTWPILTHWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS.ClH/c1-10(2)4-3-5-11-7(12)6-9-8(11)13;/h3-6H2,1-2H3,(H,9,13);1H.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride?
3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one;hydrochloride has a molecular weight of 237.76 g/mol, XLogP of 0.08, 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;hydrochloride is sourced from PubChem (CID 3070465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).