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

C11H22ClN3OS — CID 3070483

IUPAC3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCCN(CC)CCCN1C(=O)C(C)NC1=S.Cl
InChIInChI=1S/C11H21N3OS.ClH/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16;/h9H,4-8H2,1-3H3,(H,12,16);1H
InChIKeyMDUKDIFXGGTQSU-UHFFFAOYSA-N
MW279.84 g/mol
LogP1.25
Rot. Bonds6

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

3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride (PubChem CID 3070483) has the molecular formula C11H22ClN3OS and a molecular weight of 279.84 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride
PubChem CID3070483
Molecular FormulaC11H22ClN3OS
Molecular Weight279.84 g/mol
Exact Mass279.12
IUPAC Name3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride
SMILESCCN(CC)CCCN1C(=O)C(C)NC1=S.Cl
InChIInChI=1S/C11H21N3OS.ClH/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16;/h9H,4-8H2,1-3H3,(H,12,16);1H
InChIKeyMDUKDIFXGGTQSU-UHFFFAOYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 51.25
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-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride (CID 3070483) is 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride is CCN(CC)CCCN1C(=O)C(C)NC1=S.Cl.
What is the InChIKey of 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
The InChIKey is MDUKDIFXGGTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS.ClH/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16;/h9H,4-8H2,1-3H3,(H,12,16);1H.
What are the key properties of 3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride?
3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 1.25, 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]-5-methyl-2-sulfanylideneimidazolidin-4-one;hydrochloride is sourced from PubChem (CID 3070483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).