2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one

C7H15N2O2PS — CID 12548981

IUPAC2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one
SMILESCCOP1(=S)N(C)CCC(=O)N1C
InChIInChI=1S/C7H15N2O2PS/c1-4-11-12(13)8(2)6-5-7(10)9(12)3/h4-6H2,1-3H3
InChIKeyAUMKEPGZHINLBQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.04
Rot. Bonds2

About 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one

2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one (PubChem CID 12548981) has the molecular formula C7H15N2O2PS and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one.

Molecular Properties

Compound Name2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one
PubChem CID12548981
Molecular FormulaC7H15N2O2PS
Molecular Weight222.25 g/mol
Exact Mass222.06
IUPAC Name2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one
SMILESCCOP1(=S)N(C)CCC(=O)N1C
InChIInChI=1S/C7H15N2O2PS/c1-4-11-12(13)8(2)6-5-7(10)9(12)3/h4-6H2,1-3H3
InChIKeyAUMKEPGZHINLBQ-UHFFFAOYSA-N
XLogP1.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one 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

1-ethoxyazetidin-2-one
CID 130291069
1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
CID 160619641
1-(2-ethoxyethyl)-5,5-dimethylpyrrolidin-2-one
CID 135054228
ethyl 2-bromo-2-(2-oxoazetidin-1-yl)acetate
CID 15632249
3-ethyl-1-methyl-1,3-diazinan-4-one
CID 22323499
CID 86087838
CID 86087838
2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one
CID 12530625
1-(methoxymethyl)azetidin-2-one
CID 154386918
1-ethylsulfonylazetidin-2-one
CID 130291858
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
ethoxy-(3-methyl-2,5-dioxoimidazolidin-1-yl)phosphinic acid
CID 140810948
1-(aminomethyl)azetidin-2-one
CID 70516989

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one?
The IUPAC name of 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one (CID 12548981) is 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one.
What is the SMILES notation for 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one?
The canonical SMILES for 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one is CCOP1(=S)N(C)CCC(=O)N1C.
What is the InChIKey of 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one?
The InChIKey is AUMKEPGZHINLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O2PS/c1-4-11-12(13)8(2)6-5-7(10)9(12)3/h4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one?
2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one has a molecular weight of 222.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphosphinan-4-one is sourced from PubChem (CID 12548981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).