N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine

C28H29NP2S — CID 101431964

IUPACN,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NP2S/c1-32-24-14-23-29(30(25-15-6-2-7-16-25)26-17-8-3-9-18-26)31(27-19-10-4-11-20-27)28-21-12-5-13-22-28/h2-13,15-22H,14,23-24H2,1H3
InChIKeyCCBHGJLPJADRBM-UHFFFAOYSA-N
MW473.56 g/mol
LogP6.14
Rot. Bonds10

About N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine

N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine (PubChem CID 101431964) has the molecular formula C28H29NP2S and a molecular weight of 473.56 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine
PubChem CID101431964
Molecular FormulaC28H29NP2S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NP2S/c1-32-24-14-23-29(30(25-15-6-2-7-16-25)26-17-8-3-9-18-26)31(27-19-10-4-11-20-27)28-21-12-5-13-22-28/h2-13,15-22H,14,23-24H2,1H3
InChIKeyCCBHGJLPJADRBM-UHFFFAOYSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenylphosphinothioylimino-methylsulfanyl-diphenyl-lambda5-phosphane
CID 5246351
Phosphinous amide, N-(diphenylphosphino)-P,P-diphenyl-N-propyl-
CID 603415
Phosphinous amide, N-(diphenylphosphino)-N-ethyl-P,P-diphenyl-
CID 603666
Phosphinous amide, N-butyl-N-(diphenylphosphino)-P,P-diphenyl-
CID 621499
Bis(diphenylphosphino)methylamine
CID 621631
Bis(diphenylphosphino)(isopropyl)amine
CID 5250742
Phosphinous amide, N-(diphenylphosphino)-N-pentyl-P,P-diphenyl-
CID 633444
Bis(diphenylphosphino)-1,2-diethylhydrazine
CID 15909783
2-(2-Diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane
CID 15510561
Butylsulfanylmethylidene(triphenyl)-lambda5-phosphane
CID 21391222
Diphenylphosphinothioylimino-ethylsulfanyl-diphenyl-lambda5-phosphane
CID 76323297
[(E)-but-2-enyl]sulfanyl-diphenylphosphorylimino-diphenyl-lambda5-phosphane
CID 76334120

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine (CID 101431964) is N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine is CSCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is CCBHGJLPJADRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NP2S/c1-32-24-14-23-29(30(25-15-6-2-7-16-25)26-17-8-3-9-18-26)31(27-19-10-4-11-20-27)28-21-12-5-13-22-28/h2-13,15-22H,14,23-24H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine?
N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 473.56 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 101431964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).