3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride

C9H18ClN3OS — CID 3070469

IUPAC3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCC1NC(=S)N(CCCN(C)C)C1=O.Cl
InChIInChI=1S/C9H17N3OS.ClH/c1-7-8(13)12(9(14)10-7)6-4-5-11(2)3;/h7H,4-6H2,1-3H3,(H,10,14);1H
InChIKeyGDDOGEDTRVOGNO-UHFFFAOYSA-N
MW251.78 g/mol
LogP0.47
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride

3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride (PubChem CID 3070469) has the molecular formula C9H18ClN3OS and a molecular weight of 251.78 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride
PubChem CID3070469
Molecular FormulaC9H18ClN3OS
Molecular Weight251.78 g/mol
Exact Mass251.09
IUPAC Name3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCC1NC(=S)N(CCCN(C)C)C1=O.Cl
InChIInChI=1S/C9H17N3OS.ClH/c1-7-8(13)12(9(14)10-7)6-4-5-11(2)3;/h7H,4-6H2,1-3H3,(H,10,14);1H
InChIKeyGDDOGEDTRVOGNO-UHFFFAOYSA-N
XLogP0.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 50.47
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-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride (CID 3070469) is 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride is CC1NC(=S)N(CCCN(C)C)C1=O.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The InChIKey is GDDOGEDTRVOGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS.ClH/c1-7-8(13)12(9(14)10-7)6-4-5-11(2)3;/h7H,4-6H2,1-3H3,(H,10,14);1H.
What are the key properties of 3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride has a molecular weight of 251.78 g/mol, XLogP of 0.47, 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]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride is sourced from PubChem (CID 3070469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).