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

C15H32N2SW — CID 20760590

IUPACcarbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
SMILESC[N-]C1CCC(CSCC(C)(C)N(C)C)CC1.[CH3-].[W+2]
InChIInChI=1S/C14H29N2S.CH3.W/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12;;/h12-13H,6-11H2,1-5H3;1H3;/q2*-1;+2
InChIKeyOYQSXAOVUIENTH-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.07
Rot. Bonds6

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

carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) (PubChem CID 20760590) has the molecular formula C15H32N2SW and a molecular weight of 456.34 g/mol. Its IUPAC name is carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
PubChem CID20760590
Molecular FormulaC15H32N2SW
Molecular Weight456.34 g/mol
Exact Mass456.18
IUPAC Namecarbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
SMILESC[N-]C1CCC(CSCC(C)(C)N(C)C)CC1.[CH3-].[W+2]
InChIInChI=1S/C14H29N2S.CH3.W/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12;;/h12-13H,6-11H2,1-5H3;1H3;/q2*-1;+2
InChIKeyOYQSXAOVUIENTH-UHFFFAOYSA-N
XLogP4.07
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 20760594
CID 20760594
CID 59985892
CID 59985892
CID 59985894
CID 59985894
CID 140426086
CID 140426086
CID 144865671
CID 144865671
CID 144865675
CID 144865675
CID 169916839
CID 169916839
CID 20760591
CID 20760591
CID 144865672
CID 144865672
CID 144865676
CID 144865676

Frequently Asked Questions

What is the IUPAC name of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
The IUPAC name of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) (CID 20760590) is carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+).
What is the SMILES notation for carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
The canonical SMILES for carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) is C[N-]C1CCC(CSCC(C)(C)N(C)C)CC1.[CH3-].[W+2].
What is the InChIKey of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
The InChIKey is OYQSXAOVUIENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2S.CH3.W/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12;;/h12-13H,6-11H2,1-5H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)?
carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) has a molecular weight of 456.34 g/mol, XLogP of 4.07, 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)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+) is sourced from PubChem (CID 20760590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).