N-diethoxyphosphinothioylmethanamine

C5H14NO2PS — CID 759370

IUPACN-diethoxyphosphinothioylmethanamine
SMILESCCOP(=S)(NC)OCC
InChIInChI=1S/C5H14NO2PS/c1-4-7-9(10,6-3)8-5-2/h4-5H2,1-3H3,(H,6,10)
InChIKeyMIOHQNURTOWTTB-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.50
Rot. Bonds5

About N-diethoxyphosphinothioylmethanamine

N-diethoxyphosphinothioylmethanamine (PubChem CID 759370) has the molecular formula C5H14NO2PS and a molecular weight of 183.21 g/mol. Its IUPAC name is N-diethoxyphosphinothioylmethanamine.

Molecular Properties

Compound NameN-diethoxyphosphinothioylmethanamine
PubChem CID759370
Molecular FormulaC5H14NO2PS
Molecular Weight183.21 g/mol
Exact Mass183.05
IUPAC NameN-diethoxyphosphinothioylmethanamine
SMILESCCOP(=S)(NC)OCC
InChIInChI=1S/C5H14NO2PS/c1-4-7-9(10,6-3)8-5-2/h4-5H2,1-3H3,(H,6,10)
InChIKeyMIOHQNURTOWTTB-UHFFFAOYSA-N
XLogP1.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-1,1-difluoroethoxy)-ethoxyphosphinothioyl]methanamine
CID 91752180
[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane
CID 86748481
trans-(1R,2R)-1-N,2-N-bis(diethoxyphosphinothioyl)cyclohexane-1,2-diamine
CID 15517377
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
CID 156593652
CID 156593652
N-[ethoxy(ethyl)phosphoryl]methanamine
CID 165354105
ethoxy-N-methylphosphonamidic acid
CID 20842965
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphinothioylmethanamine?
The IUPAC name of N-diethoxyphosphinothioylmethanamine (CID 759370) is N-diethoxyphosphinothioylmethanamine.
What is the SMILES notation for N-diethoxyphosphinothioylmethanamine?
The canonical SMILES for N-diethoxyphosphinothioylmethanamine is CCOP(=S)(NC)OCC.
What is the InChIKey of N-diethoxyphosphinothioylmethanamine?
The InChIKey is MIOHQNURTOWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO2PS/c1-4-7-9(10,6-3)8-5-2/h4-5H2,1-3H3,(H,6,10).
What are the key properties of N-diethoxyphosphinothioylmethanamine?
N-diethoxyphosphinothioylmethanamine has a molecular weight of 183.21 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphinothioylmethanamine is sourced from PubChem (CID 759370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).