ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium

C8H20NS+ — CID 123524558

IUPACethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium
SMILESCC[N+](C)(C)C(C)CSC
InChIInChI=1S/C8H20NS/c1-6-9(3,4)8(2)7-10-5/h8H,6-7H2,1-5H3/q+1
InChIKeyVGNTZOMYYFWLRO-UHFFFAOYSA-N
MW162.32 g/mol
LogP1.83
Rot. Bonds4

About ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium

ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium (PubChem CID 123524558) has the molecular formula C8H20NS+ and a molecular weight of 162.32 g/mol. Its IUPAC name is ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium
PubChem CID123524558
Molecular FormulaC8H20NS+
Molecular Weight162.32 g/mol
Exact Mass162.13
IUPAC Nameethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium
SMILESCC[N+](C)(C)C(C)CSC
InChIInChI=1S/C8H20NS/c1-6-9(3,4)8(2)7-10-5/h8H,6-7H2,1-5H3/q+1
InChIKeyVGNTZOMYYFWLRO-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium 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 ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium?
The IUPAC name of ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium (CID 123524558) is ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium.
What is the SMILES notation for ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium?
The canonical SMILES for ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium is CC[N+](C)(C)C(C)CSC.
What is the InChIKey of ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium?
The InChIKey is VGNTZOMYYFWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NS/c1-6-9(3,4)8(2)7-10-5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium?
ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium has a molecular weight of 162.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium is sourced from PubChem (CID 123524558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).