N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine

C10H21N2O10PS2 — CID 58463615

IUPACN-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine
SMILESCCOP(=O)(NC1(C)COS(=O)(=O)OC1)NC1(C)COS(=O)(=O)OC1
InChIInChI=1S/C10H21N2O10PS2/c1-4-18-23(13,11-9(2)5-19-24(14,15)20-6-9)12-10(3)7-21-25(16,17)22-8-10/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyHJKJIZPODNOTNS-UHFFFAOYSA-N
MW424.39 g/mol
LogP-0.59
Rot. Bonds6

About N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine

N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine (PubChem CID 58463615) has the molecular formula C10H21N2O10PS2 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine.

Molecular Properties

Compound NameN-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine
PubChem CID58463615
Molecular FormulaC10H21N2O10PS2
Molecular Weight424.39 g/mol
Exact Mass424.04
IUPAC NameN-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine
SMILESCCOP(=O)(NC1(C)COS(=O)(=O)OC1)NC1(C)COS(=O)(=O)OC1
InChIInChI=1S/C10H21N2O10PS2/c1-4-18-23(13,11-9(2)5-19-24(14,15)20-6-9)12-10(3)7-21-25(16,17)22-8-10/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyHJKJIZPODNOTNS-UHFFFAOYSA-N
XLogP-0.59
TPSA155.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine with MolForge

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Related Compounds

N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine
CID 59350881
4-[ethoxy-[ethoxy-(4-methyl-2,2-dioxooxathiolan-4-yl)oxyphosphoryl]phosphoryl]oxy-4-methyloxathiolane 2,2-dioxide
CID 155383788
1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine
CID 26990
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
CID 153021979
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
N-diethoxyphosphoryl-1,3-dithietan-2-amine
CID 13363819
4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
CID 10491916
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane
CID 20532261
(2,2-dioxooxathian-4-yl) 2-diethoxyphosphorylacetate
CID 90003404
(2,2-dihydroxyoxathian-4-yl) 2-diethoxyphosphorylacetate
CID 90003405

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine?
The IUPAC name of N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine (CID 58463615) is N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine.
What is the SMILES notation for N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine?
The canonical SMILES for N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine is CCOP(=O)(NC1(C)COS(=O)(=O)OC1)NC1(C)COS(=O)(=O)OC1.
What is the InChIKey of N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine?
The InChIKey is HJKJIZPODNOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O10PS2/c1-4-18-23(13,11-9(2)5-19-24(14,15)20-6-9)12-10(3)7-21-25(16,17)22-8-10/h4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine?
N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine has a molecular weight of 424.39 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine is sourced from PubChem (CID 58463615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).