trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium

C8H15N2OS2+ — CID 87422193

IUPACtrimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium
SMILESC[N+](C)(C)CC(=O)N1CCSC1=S
InChIInChI=1S/C8H15N2OS2/c1-10(2,3)6-7(11)9-4-5-13-8(9)12/h4-6H2,1-3H3/q+1
InChIKeyPBONZXFWBJAOME-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.55
Rot. Bonds2

About trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium

trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium (PubChem CID 87422193) has the molecular formula C8H15N2OS2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium
PubChem CID87422193
Molecular FormulaC8H15N2OS2+
Molecular Weight219.35 g/mol
Exact Mass219.06
IUPAC Nametrimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium
SMILESC[N+](C)(C)CC(=O)N1CCSC1=S
InChIInChI=1S/C8H15N2OS2/c1-10(2,3)6-7(11)9-4-5-13-8(9)12/h4-6H2,1-3H3/q+1
InChIKeyPBONZXFWBJAOME-UHFFFAOYSA-N
XLogP0.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium (CID 87422193) is trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium is C[N+](C)(C)CC(=O)N1CCSC1=S.
What is the InChIKey of trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium?
The InChIKey is PBONZXFWBJAOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2OS2/c1-10(2,3)6-7(11)9-4-5-13-8(9)12/h4-6H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium?
trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium has a molecular weight of 219.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium is sourced from PubChem (CID 87422193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).