diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane

C18H22NPS — CID 23418229

IUPACdiphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane
SMILESS=P(CN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NPS/c21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyUBYYGELZSFAFAC-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.56
Rot. Bonds4

About diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane

diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane (PubChem CID 23418229) has the molecular formula C18H22NPS and a molecular weight of 315.42 g/mol. Its IUPAC name is diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane
PubChem CID23418229
Molecular FormulaC18H22NPS
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC Namediphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane
SMILESS=P(CN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NPS/c21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyUBYYGELZSFAFAC-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane (CID 23418229) is diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane is S=P(CN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane?
The InChIKey is UBYYGELZSFAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NPS/c21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h1-2,4-7,10-13H,3,8-9,14-16H2.
What are the key properties of diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane?
diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane has a molecular weight of 315.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23418229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).