2-ethylsulfinylethyl(trimethyl)azanium iodide

C7H18INOS — CID 3026638

IUPAC2-ethylsulfinylethyl(trimethyl)azanium iodide
SMILESCCS(=O)CC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H18NOS.HI/c1-5-10(9)7-6-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyQOVDDAVVIFGLNB-UHFFFAOYSA-M
MW291.20 g/mol
LogP-2.53
Rot. Bonds4

About 2-ethylsulfinylethyl(trimethyl)azanium iodide

2-ethylsulfinylethyl(trimethyl)azanium iodide (PubChem CID 3026638) has the molecular formula C7H18INOS and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-ethylsulfinylethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-ethylsulfinylethyl(trimethyl)azanium iodide
PubChem CID3026638
Molecular FormulaC7H18INOS
Molecular Weight291.20 g/mol
Exact Mass291.02
IUPAC Name2-ethylsulfinylethyl(trimethyl)azanium iodide
SMILESCCS(=O)CC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H18NOS.HI/c1-5-10(9)7-6-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyQOVDDAVVIFGLNB-UHFFFAOYSA-M
XLogP-2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylethyl(trimethyl)azanium iodide?
The IUPAC name of 2-ethylsulfinylethyl(trimethyl)azanium iodide (CID 3026638) is 2-ethylsulfinylethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-ethylsulfinylethyl(trimethyl)azanium iodide?
The canonical SMILES for 2-ethylsulfinylethyl(trimethyl)azanium iodide is CCS(=O)CC[N+](C)(C)C.[I-].
What is the InChIKey of 2-ethylsulfinylethyl(trimethyl)azanium iodide?
The InChIKey is QOVDDAVVIFGLNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NOS.HI/c1-5-10(9)7-6-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-ethylsulfinylethyl(trimethyl)azanium iodide?
2-ethylsulfinylethyl(trimethyl)azanium iodide has a molecular weight of 291.20 g/mol, XLogP of -2.53, 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 iodide is sourced from PubChem (CID 3026638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).