methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate

C12H19NO6S — CID 78926573

IUPACmethyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC2CCS(=O)(=O)C2)CCO1
InChIInChI=1S/C12H19NO6S/c1-18-12(15)10-7-13(3-4-19-10)11(14)6-9-2-5-20(16,17)8-9/h9-10H,2-8H2,1H3
InChIKeyVGPOHMKRRFUOQQ-UHFFFAOYSA-N
MW305.35 g/mol
LogP-0.79
Rot. Bonds3

About methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate (PubChem CID 78926573) has the molecular formula C12H19NO6S and a molecular weight of 305.35 g/mol. Its IUPAC name is methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate
PubChem CID78926573
Molecular FormulaC12H19NO6S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Namemethyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC2CCS(=O)(=O)C2)CCO1
InChIInChI=1S/C12H19NO6S/c1-18-12(15)10-7-13(3-4-19-10)11(14)6-9-2-5-20(16,17)8-9/h9-10H,2-8H2,1H3
InChIKeyVGPOHMKRRFUOQQ-UHFFFAOYSA-N
XLogP-0.79
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate 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

methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
CID 103165176
2-(1,1-dioxothiolan-3-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63250693
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
CID 79403357
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
methyl 4-(5-bromopentanoyl)morpholine-2-carboxylate
CID 107910433
methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate
CID 78926078
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate (CID 78926573) is methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CC2CCS(=O)(=O)C2)CCO1.
What is the InChIKey of methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate?
The InChIKey is VGPOHMKRRFUOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S/c1-18-12(15)10-7-13(3-4-19-10)11(14)6-9-2-5-20(16,17)8-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate has a molecular weight of 305.35 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).