amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium

C8H18N2OS — CID 174223897

IUPACamino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium
SMILESCC(C1CNC1)C(C)(C)[S+](N)[O-]
InChIInChI=1S/C8H18N2OS/c1-6(7-4-10-5-7)8(2,3)12(9)11/h6-7,10H,4-5,9H2,1-3H3
InChIKeyQSOTWYRQEALYSJ-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.24
Rot. Bonds3

About amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium

amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium (PubChem CID 174223897) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium.

Molecular Properties

Compound Nameamino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium
PubChem CID174223897
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Nameamino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium
SMILESCC(C1CNC1)C(C)(C)[S+](N)[O-]
InChIInChI=1S/C8H18N2OS/c1-6(7-4-10-5-7)8(2,3)12(9)11/h6-7,10H,4-5,9H2,1-3H3
InChIKeyQSOTWYRQEALYSJ-UHFFFAOYSA-N
XLogP0.24
TPSA61.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium?
The IUPAC name of amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium (CID 174223897) is amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium.
What is the SMILES notation for amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium?
The canonical SMILES for amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium is CC(C1CNC1)C(C)(C)[S+](N)[O-].
What is the InChIKey of amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium?
The InChIKey is QSOTWYRQEALYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-6(7-4-10-5-7)8(2,3)12(9)11/h6-7,10H,4-5,9H2,1-3H3.
What are the key properties of amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium?
amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium has a molecular weight of 190.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-(azetidin-3-yl)-2-methylbutan-2-yl]-oxidosulfanium is sourced from PubChem (CID 174223897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).