2-ethylsulfinylethyl(trimethyl)azanium

C7H18NOS+ — CID 3026639

IUPAC2-ethylsulfinylethyl(trimethyl)azanium
SMILESCCS(=O)CC[N+](C)(C)C
InChIInChI=1S/C7H18NOS/c1-5-10(9)7-6-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyVOLVNFFTOYTNMX-UHFFFAOYSA-N
MW164.29 g/mol
LogP0.46
Rot. Bonds4

About 2-ethylsulfinylethyl(trimethyl)azanium

2-ethylsulfinylethyl(trimethyl)azanium (PubChem CID 3026639) has the molecular formula C7H18NOS+ and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-ethylsulfinylethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-ethylsulfinylethyl(trimethyl)azanium
PubChem CID3026639
Molecular FormulaC7H18NOS+
Molecular Weight164.29 g/mol
Exact Mass164.11
IUPAC Name2-ethylsulfinylethyl(trimethyl)azanium
SMILESCCS(=O)CC[N+](C)(C)C
InChIInChI=1S/C7H18NOS/c1-5-10(9)7-6-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyVOLVNFFTOYTNMX-UHFFFAOYSA-N
XLogP0.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 50.46
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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Related Compounds

1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium
CID 163682516
N'-(2-ethylsulfinylethyl)ethane-1,2-diamine
CID 130589076
5-ethylsulfinylpentan-2-one
CID 64640070
(3-ethylsulfinyl-1-trimethylstannylpropyl)-trimethylstannane
CID 13047216
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
bis(2-hydroxyethyl(trimethyl)azanium);sulfite
CID 87093704
methyl 3-ethylsulfinylpropanoate
CID 61303551
ethyl(trimethyl)azanium;dihydrate
CID 174491612
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
2-ethylsulfinylethyl carbamimidothioate
CID 2054872

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylethyl(trimethyl)azanium?
The IUPAC name of 2-ethylsulfinylethyl(trimethyl)azanium (CID 3026639) is 2-ethylsulfinylethyl(trimethyl)azanium.
What is the SMILES notation for 2-ethylsulfinylethyl(trimethyl)azanium?
The canonical SMILES for 2-ethylsulfinylethyl(trimethyl)azanium is CCS(=O)CC[N+](C)(C)C.
What is the InChIKey of 2-ethylsulfinylethyl(trimethyl)azanium?
The InChIKey is VOLVNFFTOYTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOS/c1-5-10(9)7-6-8(2,3)4/h5-7H2,1-4H3/q+1.
What are the key properties of 2-ethylsulfinylethyl(trimethyl)azanium?
2-ethylsulfinylethyl(trimethyl)azanium has a molecular weight of 164.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylethyl(trimethyl)azanium is sourced from PubChem (CID 3026639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).