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

C13H28N2SW — CID 20760594

IUPACcarbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
SMILESC[N-]C1CCC(CSCCN(C)C)CC1.[CH3-].[W+2]
InChIInChI=1S/C12H25N2S.CH3.W/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3;;/h11-12H,4-10H2,1-3H3;1H3;/q2*-1;+2
InChIKeyCJFRLRUGQKEEOE-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.29
Rot. Bonds6

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

carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) (PubChem CID 20760594) has the molecular formula C13H28N2SW and a molecular weight of 428.29 g/mol. Its IUPAC name is carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
PubChem CID20760594
Molecular FormulaC13H28N2SW
Molecular Weight428.29 g/mol
Exact Mass428.15
IUPAC Namecarbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
SMILESC[N-]C1CCC(CSCCN(C)C)CC1.[CH3-].[W+2]
InChIInChI=1S/C12H25N2S.CH3.W/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3;;/h11-12H,4-10H2,1-3H3;1H3;/q2*-1;+2
InChIKeyCJFRLRUGQKEEOE-UHFFFAOYSA-N
XLogP3.29
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
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-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
The IUPAC name of carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) (CID 20760594) is carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+).
What is the SMILES notation for carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
The canonical SMILES for carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) is C[N-]C1CCC(CSCCN(C)C)CC1.[CH3-].[W+2].
What is the InChIKey of carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
The InChIKey is CJFRLRUGQKEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2S.CH3.W/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3;;/h11-12H,4-10H2,1-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) has a molecular weight of 428.29 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) is sourced from PubChem (CID 20760594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).