ethyl-dimethyl-(2-methylsulfanylethyl)azanium

C7H18NS+ — CID 123452655

IUPACethyl-dimethyl-(2-methylsulfanylethyl)azanium
SMILESCC[N+](C)(C)CCSC
InChIInChI=1S/C7H18NS/c1-5-8(2,3)6-7-9-4/h5-7H2,1-4H3/q+1
InChIKeyRNIUSDYXOILTPI-UHFFFAOYSA-N
MW148.29 g/mol
LogP1.45
Rot. Bonds4

About ethyl-dimethyl-(2-methylsulfanylethyl)azanium

ethyl-dimethyl-(2-methylsulfanylethyl)azanium (PubChem CID 123452655) has the molecular formula C7H18NS+ and a molecular weight of 148.29 g/mol. Its IUPAC name is ethyl-dimethyl-(2-methylsulfanylethyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(2-methylsulfanylethyl)azanium
PubChem CID123452655
Molecular FormulaC7H18NS+
Molecular Weight148.29 g/mol
Exact Mass148.12
IUPAC Nameethyl-dimethyl-(2-methylsulfanylethyl)azanium
SMILESCC[N+](C)(C)CCSC
InChIInChI=1S/C7H18NS/c1-5-8(2,3)6-7-9-4/h5-7H2,1-4H3/q+1
InChIKeyRNIUSDYXOILTPI-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(2-methylsulfanylethyl)azanium?
The IUPAC name of ethyl-dimethyl-(2-methylsulfanylethyl)azanium (CID 123452655) is ethyl-dimethyl-(2-methylsulfanylethyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(2-methylsulfanylethyl)azanium?
The canonical SMILES for ethyl-dimethyl-(2-methylsulfanylethyl)azanium is CC[N+](C)(C)CCSC.
What is the InChIKey of ethyl-dimethyl-(2-methylsulfanylethyl)azanium?
The InChIKey is RNIUSDYXOILTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NS/c1-5-8(2,3)6-7-9-4/h5-7H2,1-4H3/q+1.
What are the key properties of ethyl-dimethyl-(2-methylsulfanylethyl)azanium?
ethyl-dimethyl-(2-methylsulfanylethyl)azanium has a molecular weight of 148.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-methylsulfanylethyl)azanium is sourced from PubChem (CID 123452655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).