N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine

C12H30N3PS — CID 551877

IUPACN-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine
SMILESCCN(CC)P(=S)(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30N3PS/c1-7-13(8-2)16(17,14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3
InChIKeyKZQIAEWHEOWAPX-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.24
Rot. Bonds9

About N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine

N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine (PubChem CID 551877) has the molecular formula C12H30N3PS and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine
PubChem CID551877
Molecular FormulaC12H30N3PS
Molecular Weight279.43 g/mol
Exact Mass279.19
IUPAC NameN-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine
SMILESCCN(CC)P(=S)(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30N3PS/c1-7-13(8-2)16(17,14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3
InChIKeyKZQIAEWHEOWAPX-UHFFFAOYSA-N
XLogP3.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine?
The IUPAC name of N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine (CID 551877) is N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine.
What is the SMILES notation for N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine?
The canonical SMILES for N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine is CCN(CC)P(=S)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine?
The InChIKey is KZQIAEWHEOWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N3PS/c1-7-13(8-2)16(17,14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3.
What are the key properties of N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine?
N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethylamino)phosphinothioyl]-N-ethylethanamine is sourced from PubChem (CID 551877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).