N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine

C12H25N2O8PS2 — CID 59350881

IUPACN-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine
SMILESCCOP(=O)(NC1(C)CCS(=O)(=O)OC1)NC1(C)CCS(=O)(=O)OC1
InChIInChI=1S/C12H25N2O8PS2/c1-4-20-23(15,13-11(2)5-7-24(16,17)21-9-11)14-12(3)6-8-25(18,19)22-10-12/h4-10H2,1-3H3,(H2,13,14,15)
InChIKeyTVSLRFAHLSKTCT-UHFFFAOYSA-N
MW420.45 g/mol
LogP0.33
Rot. Bonds6

About N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine

N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine (PubChem CID 59350881) has the molecular formula C12H25N2O8PS2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine.

Molecular Properties

Compound NameN-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine
PubChem CID59350881
Molecular FormulaC12H25N2O8PS2
Molecular Weight420.45 g/mol
Exact Mass420.08
IUPAC NameN-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine
SMILESCCOP(=O)(NC1(C)CCS(=O)(=O)OC1)NC1(C)CCS(=O)(=O)OC1
InChIInChI=1S/C12H25N2O8PS2/c1-4-20-23(15,13-11(2)5-7-24(16,17)21-9-11)14-12(3)6-8-25(18,19)22-10-12/h4-10H2,1-3H3,(H2,13,14,15)
InChIKeyTVSLRFAHLSKTCT-UHFFFAOYSA-N
XLogP0.33
TPSA137.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
4-[4-bis[(4-methyl-2,2-dioxooxathiolan-4-yl)oxy]phosphorylbutyl-(4-methyl-2,2-dioxooxathiolan-4-yl)oxyphosphoryl]oxy-4-methyloxathiolane 2,2-dioxide
CID 155384257
methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
CID 110192724
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
4-methyl-4-propyloxathietane 2,2-dioxide
CID 134926282
bis(4-methyl-2,2-dioxooxathiolan-4-yl) propanedioate
CID 155383769
2-[ethoxy(methyl)phosphoryl]-2-methyloxathiolane
CID 20532261

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine?
The IUPAC name of N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine (CID 59350881) is N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine.
What is the SMILES notation for N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine?
The canonical SMILES for N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine is CCOP(=O)(NC1(C)CCS(=O)(=O)OC1)NC1(C)CCS(=O)(=O)OC1.
What is the InChIKey of N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine?
The InChIKey is TVSLRFAHLSKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O8PS2/c1-4-20-23(15,13-11(2)5-7-24(16,17)21-9-11)14-12(3)6-8-25(18,19)22-10-12/h4-10H2,1-3H3,(H2,13,14,15).
What are the key properties of N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine?
N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine has a molecular weight of 420.45 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine is sourced from PubChem (CID 59350881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).