azane;trimethyl(prop-2-enylsulfanyl)azanium

C6H17N2S+ — CID 174540922

IUPACazane;trimethyl(prop-2-enylsulfanyl)azanium
SMILESC=CCS[N+](C)(C)C.N
InChIInChI=1S/C6H14NS.H3N/c1-5-6-8-7(2,3)4;/h5H,1,6H2,2-4H3;1H3/q+1;
InChIKeyLXGWOAOUAWNXDF-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.69
Rot. Bonds3

About azane;trimethyl(prop-2-enylsulfanyl)azanium

azane;trimethyl(prop-2-enylsulfanyl)azanium (PubChem CID 174540922) has the molecular formula C6H17N2S+ and a molecular weight of 149.28 g/mol. Its IUPAC name is azane;trimethyl(prop-2-enylsulfanyl)azanium.

Molecular Properties

Compound Nameazane;trimethyl(prop-2-enylsulfanyl)azanium
PubChem CID174540922
Molecular FormulaC6H17N2S+
Molecular Weight149.28 g/mol
Exact Mass149.11
IUPAC Nameazane;trimethyl(prop-2-enylsulfanyl)azanium
SMILESC=CCS[N+](C)(C)C.N
InChIInChI=1S/C6H14NS.H3N/c1-5-6-8-7(2,3)4;/h5H,1,6H2,2-4H3;1H3/q+1;
InChIKeyLXGWOAOUAWNXDF-UHFFFAOYSA-N
XLogP1.69
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;trimethyl(prop-2-enylsulfanyl)azanium?
The IUPAC name of azane;trimethyl(prop-2-enylsulfanyl)azanium (CID 174540922) is azane;trimethyl(prop-2-enylsulfanyl)azanium.
What is the SMILES notation for azane;trimethyl(prop-2-enylsulfanyl)azanium?
The canonical SMILES for azane;trimethyl(prop-2-enylsulfanyl)azanium is C=CCS[N+](C)(C)C.N.
What is the InChIKey of azane;trimethyl(prop-2-enylsulfanyl)azanium?
The InChIKey is LXGWOAOUAWNXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NS.H3N/c1-5-6-8-7(2,3)4;/h5H,1,6H2,2-4H3;1H3/q+1;.
What are the key properties of azane;trimethyl(prop-2-enylsulfanyl)azanium?
azane;trimethyl(prop-2-enylsulfanyl)azanium has a molecular weight of 149.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl(prop-2-enylsulfanyl)azanium is sourced from PubChem (CID 174540922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).