methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate

C10H16N2O4S — CID 113330530

IUPACmethyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C(C)C(N)=S)CCO1
InChIInChI=1S/C10H16N2O4S/c1-6(8(11)17)9(13)12-3-4-16-7(5-12)10(14)15-2/h6-7H,3-5H2,1-2H3,(H2,11,17)
InChIKeyTYEZBOFCSZGNLV-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.69
Rot. Bonds3

About methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate

methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate (PubChem CID 113330530) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
PubChem CID113330530
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C(C)C(N)=S)CCO1
InChIInChI=1S/C10H16N2O4S/c1-6(8(11)17)9(13)12-3-4-16-7(5-12)10(14)15-2/h6-7H,3-5H2,1-2H3,(H2,11,17)
InChIKeyTYEZBOFCSZGNLV-UHFFFAOYSA-N
XLogP-0.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)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-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]morpholine-2-carboxylate
CID 78926794
methyl 2-[4-(2-carbamothioyl-3-methylbutanoyl)morpholin-2-yl]acetate
CID 115534739
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
CID 78927150

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate (CID 113330530) is methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)C(C)C(N)=S)CCO1.
What is the InChIKey of methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate?
The InChIKey is TYEZBOFCSZGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-6(8(11)17)9(13)12-3-4-16-7(5-12)10(14)15-2/h6-7H,3-5H2,1-2H3,(H2,11,17).
What are the key properties of methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate?
methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate has a molecular weight of 260.31 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate is sourced from PubChem (CID 113330530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).