carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)

C9H18NO4SW- — CID 20760613

IUPACcarbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)
SMILESC[N-]C1CCC(C(O)S(=O)(=O)[O-])CC1.[CH3-].[W+2]
InChIInChI=1S/C8H16NO4S.CH3.W/c1-9-7-4-2-6(3-5-7)8(10)14(11,12)13;;/h6-8,10H,2-5H2,1H3,(H,11,12,13);1H3;/q2*-1;+2/p-1
InChIKeyASTZUTPHYWLHNF-UHFFFAOYSA-M
MW420.15 g/mol
LogP0.86
Rot. Bonds3

About carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)

carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+) (PubChem CID 20760613) has the molecular formula C9H18NO4SW- and a molecular weight of 420.15 g/mol. Its IUPAC name is carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+).

Molecular Properties

Compound Namecarbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)
PubChem CID20760613
Molecular FormulaC9H18NO4SW-
Molecular Weight420.15 g/mol
Exact Mass420.05
IUPAC Namecarbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)
SMILESC[N-]C1CCC(C(O)S(=O)(=O)[O-])CC1.[CH3-].[W+2]
InChIInChI=1S/C8H16NO4S.CH3.W/c1-9-7-4-2-6(3-5-7)8(10)14(11,12)13;;/h6-8,10H,2-5H2,1H3,(H,11,12,13);1H3;/q2*-1;+2/p-1
InChIKeyASTZUTPHYWLHNF-UHFFFAOYSA-M
XLogP0.86
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)?
The IUPAC name of carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+) (CID 20760613) is carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+).
What is the SMILES notation for carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)?
The canonical SMILES for carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+) is C[N-]C1CCC(C(O)S(=O)(=O)[O-])CC1.[CH3-].[W+2].
What is the InChIKey of carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)?
The InChIKey is ASTZUTPHYWLHNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO4S.CH3.W/c1-9-7-4-2-6(3-5-7)8(10)14(11,12)13;;/h6-8,10H,2-5H2,1H3,(H,11,12,13);1H3;/q2*-1;+2/p-1.
What are the key properties of carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+)?
carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+) has a molecular weight of 420.15 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hydroxy-(4-methylazanidylcyclohexyl)methanesulfonate;tungsten(2+) is sourced from PubChem (CID 20760613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).