N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine

C14H33NO4P2S — CID 3635947

IUPACN-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(OCC(C)C)OP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C14H33NO4P2S/c1-9-15(10-2)20(16-11-12(3)4)19-21(22,17-13(5)6)18-14(7)8/h12-14H,9-11H2,1-8H3
InChIKeyRHWGIFCWVSYRCE-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.32
Rot. Bonds12

About N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine

N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine (PubChem CID 3635947) has the molecular formula C14H33NO4P2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine
PubChem CID3635947
Molecular FormulaC14H33NO4P2S
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC NameN-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(OCC(C)C)OP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C14H33NO4P2S/c1-9-15(10-2)20(16-11-12(3)4)19-21(22,17-13(5)6)18-14(7)8/h12-14H,9-11H2,1-8H3
InChIKeyRHWGIFCWVSYRCE-UHFFFAOYSA-N
XLogP5.32
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine (CID 3635947) is N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine is CCN(CC)P(OCC(C)C)OP(=S)(OC(C)C)OC(C)C.
What is the InChIKey of N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine?
The InChIKey is RHWGIFCWVSYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO4P2S/c1-9-15(10-2)20(16-11-12(3)4)19-21(22,17-13(5)6)18-14(7)8/h12-14H,9-11H2,1-8H3.
What are the key properties of N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine?
N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine has a molecular weight of 373.44 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yloxy)phosphinothioyloxy-(2-methylpropoxy)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 3635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).