dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane

C19H32NOPS — CID 134880019

IUPACdicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane
SMILESC1CCC([NH2+]C2CCCCC2)CC1.CP([O-])(=S)c1ccccc1
InChIInChI=1S/C12H23N.C7H9OPS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(8,10)7-5-3-2-4-6-7/h11-13H,1-10H2;2-6H,1H3,(H,8,10)
InChIKeyWANNCGYCGSLVFV-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.91
Rot. Bonds3

About dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane

dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 134880019) has the molecular formula C19H32NOPS and a molecular weight of 353.51 g/mol. Its IUPAC name is dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane
PubChem CID134880019
Molecular FormulaC19H32NOPS
Molecular Weight353.51 g/mol
Exact Mass353.19
IUPAC Namedicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane
SMILESC1CCC([NH2+]C2CCCCC2)CC1.CP([O-])(=S)c1ccccc1
InChIInChI=1S/C12H23N.C7H9OPS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(8,10)7-5-3-2-4-6-7/h11-13H,1-10H2;2-6H,1H3,(H,8,10)
InChIKeyWANNCGYCGSLVFV-UHFFFAOYSA-N
XLogP2.91
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphorylcyclohexanamine
CID 246893
3-(Butylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905931
3-(Pentylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905932
3-(Hexylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905937
N-cyclohexyl-1-diphenylphosphorylmethanethioamide
CID 2776637
(S)-2-[(Diphenylphosphino)methyl]pyrrolidine
CID 11272693
2-Diphenylphosphino methylpyrrolidine
CID 14641614
trans-(1R,2R)-2-N-diphenylphosphoryl-1-N-propan-2-ylcyclohexane-1,2-diamine
CID 71506980
(2-Diphenylphosphorylethyl)butyl-amine
CID 11324075
2-Diphenylphosphorylpiperidine
CID 11781097
(2S)-2-(diphenylphosphorylmethyl)pyrrolidine
CID 12173213
(2-Isopropylaminopropyl)triphenylphosphonium iodide
CID 14323065

Frequently Asked Questions

What is the IUPAC name of dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane (CID 134880019) is dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane is C1CCC([NH2+]C2CCCCC2)CC1.CP([O-])(=S)c1ccccc1.
What is the InChIKey of dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is WANNCGYCGSLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C7H9OPS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(8,10)7-5-3-2-4-6-7/h11-13H,1-10H2;2-6H,1H3,(H,8,10).
What are the key properties of dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane?
dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 353.51 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylazanium;methyl-oxido-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 134880019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).