carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)

C11H23NOSW — CID 20760598

IUPACcarbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)
SMILESC[N-]C1CCC(CSCCO)CC1.[CH3-].[W+2]
InChIInChI=1S/C10H20NOS.CH3.W/c1-11-10-4-2-9(3-5-10)8-13-7-6-12;;/h9-10,12H,2-8H2,1H3;1H3;/q2*-1;+2
InChIKeyMQZPFFVEFJJTIC-UHFFFAOYSA-N
MW401.22 g/mol
LogP2.72
Rot. Bonds5

About carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)

carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+) (PubChem CID 20760598) has the molecular formula C11H23NOSW and a molecular weight of 401.22 g/mol. Its IUPAC name is carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)
PubChem CID20760598
Molecular FormulaC11H23NOSW
Molecular Weight401.22 g/mol
Exact Mass401.10
IUPAC Namecarbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)
SMILESC[N-]C1CCC(CSCCO)CC1.[CH3-].[W+2]
InChIInChI=1S/C10H20NOS.CH3.W/c1-11-10-4-2-9(3-5-10)8-13-7-6-12;;/h9-10,12H,2-8H2,1H3;1H3;/q2*-1;+2
InChIKeyMQZPFFVEFJJTIC-UHFFFAOYSA-N
XLogP2.72
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)?
The IUPAC name of carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+) (CID 20760598) is carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+).
What is the SMILES notation for carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)?
The canonical SMILES for carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+) is C[N-]C1CCC(CSCCO)CC1.[CH3-].[W+2].
What is the InChIKey of carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)?
The InChIKey is MQZPFFVEFJJTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NOS.CH3.W/c1-11-10-4-2-9(3-5-10)8-13-7-6-12;;/h9-10,12H,2-8H2,1H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+)?
carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+) has a molecular weight of 401.22 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-(2-hydroxyethylsulfanylmethyl)cyclohexyl]-methylazanide;tungsten(2+) is sourced from PubChem (CID 20760598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).