trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium

C8H16N3O2S2+ — CID 22406971

IUPACtrimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium
SMILESC[N+](C)(C)CCNS(=O)(=O)c1nccs1
InChIInChI=1S/C8H16N3O2S2/c1-11(2,3)6-4-10-15(12,13)8-9-5-7-14-8/h5,7,10H,4,6H2,1-3H3/q+1
InChIKeyBHTDHIYEXDYSDM-UHFFFAOYSA-N
MW250.37 g/mol
LogP0.13
Rot. Bonds5

About trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium

trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium (PubChem CID 22406971) has the molecular formula C8H16N3O2S2+ and a molecular weight of 250.37 g/mol. Its IUPAC name is trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium
PubChem CID22406971
Molecular FormulaC8H16N3O2S2+
Molecular Weight250.37 g/mol
Exact Mass250.07
IUPAC Nametrimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium
SMILESC[N+](C)(C)CCNS(=O)(=O)c1nccs1
InChIInChI=1S/C8H16N3O2S2/c1-11(2,3)6-4-10-15(12,13)8-9-5-7-14-8/h5,7,10H,4,6H2,1-3H3/q+1
InChIKeyBHTDHIYEXDYSDM-UHFFFAOYSA-N
XLogP0.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium?
The IUPAC name of trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium (CID 22406971) is trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium is C[N+](C)(C)CCNS(=O)(=O)c1nccs1.
What is the InChIKey of trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium?
The InChIKey is BHTDHIYEXDYSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3O2S2/c1-11(2,3)6-4-10-15(12,13)8-9-5-7-14-8/h5,7,10H,4,6H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium?
trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium has a molecular weight of 250.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium is sourced from PubChem (CID 22406971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).