methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium

C10H21N2O2SV- — CID 169214932

IUPACmethyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium
SMILESC[N-]CCCOCCCN(C)C(=O)SC.[V]
InChIInChI=1S/C10H21N2O2S.V/c1-11-6-4-8-14-9-5-7-12(2)10(13)15-3;/h4-9H2,1-3H3;/q-1;
InChIKeyJTCARILIJIAPTL-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.20
Rot. Bonds8

About methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium

methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium (PubChem CID 169214932) has the molecular formula C10H21N2O2SV- and a molecular weight of 284.30 g/mol. Its IUPAC name is methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium.

Molecular Properties

Compound Namemethyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium
PubChem CID169214932
Molecular FormulaC10H21N2O2SV-
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Namemethyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium
SMILESC[N-]CCCOCCCN(C)C(=O)SC.[V]
InChIInChI=1S/C10H21N2O2S.V/c1-11-6-4-8-14-9-5-7-12(2)10(13)15-3;/h4-9H2,1-3H3;/q-1;
InChIKeyJTCARILIJIAPTL-UHFFFAOYSA-N
XLogP2.20
TPSA43.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium?
The IUPAC name of methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium (CID 169214932) is methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium.
What is the SMILES notation for methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium?
The canonical SMILES for methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium is C[N-]CCCOCCCN(C)C(=O)SC.[V].
What is the InChIKey of methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium?
The InChIKey is JTCARILIJIAPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2S.V/c1-11-6-4-8-14-9-5-7-12(2)10(13)15-3;/h4-9H2,1-3H3;/q-1;.
What are the key properties of methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium?
methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium has a molecular weight of 284.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium is sourced from PubChem (CID 169214932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).