trimethyl(1-sulfanylethyl)azanium

C5H14NS+ — CID 12234

IUPACtrimethyl(1-sulfanylethyl)azanium
SMILESCC(S)[N+](C)(C)C
InChIInChI=1S/C5H13NS/c1-5(7)6(2,3)4/h5H,1-4H3/p+1
InChIKeyLVBPYWNMUMVQBA-UHFFFAOYSA-O
MW120.24 g/mol
LogP0.97
Rot. Bonds1

About trimethyl(1-sulfanylethyl)azanium

trimethyl(1-sulfanylethyl)azanium (PubChem CID 12234) has the molecular formula C5H14NS+ and a molecular weight of 120.24 g/mol. Its IUPAC name is trimethyl(1-sulfanylethyl)azanium.

Molecular Properties

Compound Nametrimethyl(1-sulfanylethyl)azanium
PubChem CID12234
Molecular FormulaC5H14NS+
Molecular Weight120.24 g/mol
Exact Mass120.08
IUPAC Nametrimethyl(1-sulfanylethyl)azanium
SMILESCC(S)[N+](C)(C)C
InChIInChI=1S/C5H13NS/c1-5(7)6(2,3)4/h5H,1-4H3/p+1
InChIKeyLVBPYWNMUMVQBA-UHFFFAOYSA-O
XLogP0.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methylpropane;sulfane
CID 20976886
dichloro-methyl-sulfanylphosphanium
CID 88580697
propan-2-yl-di(propan-2-yloxy)-(1-sulfanylethyl)azanium
CID 163756065
1-aminoethanethiol;gold
CID 87377143
nickel;1-sulfanylethanol
CID 174917058
dimethyl-bis(sulfanyl)azanium
CID 154020184
1-aminopropan-2-yl(trimethyl)azanium
CID 22491691
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide
CID 141049689
difluoromethyl(trimethyl)azanium chloride
CID 13440985
3,4,5-trimethylheptane-2,6-dithiol
CID 167280978
2-sulfanylpropane-1,1,1-triol
CID 140982540

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-sulfanylethyl)azanium?
The IUPAC name of trimethyl(1-sulfanylethyl)azanium (CID 12234) is trimethyl(1-sulfanylethyl)azanium.
What is the SMILES notation for trimethyl(1-sulfanylethyl)azanium?
The canonical SMILES for trimethyl(1-sulfanylethyl)azanium is CC(S)[N+](C)(C)C.
What is the InChIKey of trimethyl(1-sulfanylethyl)azanium?
The InChIKey is LVBPYWNMUMVQBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NS/c1-5(7)6(2,3)4/h5H,1-4H3/p+1.
What are the key properties of trimethyl(1-sulfanylethyl)azanium?
trimethyl(1-sulfanylethyl)azanium has a molecular weight of 120.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-sulfanylethyl)azanium is sourced from PubChem (CID 12234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).