N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine

C10H25N2OPS — CID 15093570

IUPACN-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine
SMILESCCSP(=O)(N(CC)CC)N(CC)CC
InChIInChI=1S/C10H25N2OPS/c1-6-11(7-2)14(13,15-10-5)12(8-3)9-4/h6-10H2,1-5H3
InChIKeyMISJOYHGMHKJLR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.53
Rot. Bonds8

About N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine

N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine (PubChem CID 15093570) has the molecular formula C10H25N2OPS and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine
PubChem CID15093570
Molecular FormulaC10H25N2OPS
Molecular Weight252.36 g/mol
Exact Mass252.14
IUPAC NameN-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine
SMILESCCSP(=O)(N(CC)CC)N(CC)CC
InChIInChI=1S/C10H25N2OPS/c1-6-11(7-2)14(13,15-10-5)12(8-3)9-4/h6-10H2,1-5H3
InChIKeyMISJOYHGMHKJLR-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.53
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 N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine (CID 15093570) is N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine is CCSP(=O)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine?
The InChIKey is MISJOYHGMHKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N2OPS/c1-6-11(7-2)14(13,15-10-5)12(8-3)9-4/h6-10H2,1-5H3.
What are the key properties of N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine?
N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 15093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).