methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate

C7H14ClNO5S — CID 103493525

IUPACmethyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
SMILESCOCCS(=O)(=O)NCC(Cl)C(=O)OC
InChIInChI=1S/C7H14ClNO5S/c1-13-3-4-15(11,12)9-5-6(8)7(10)14-2/h6,9H,3-5H2,1-2H3
InChIKeyYGFVMTLQQSQPRB-UHFFFAOYSA-N
MW259.71 g/mol
LogP-0.67
Rot. Bonds7

About methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate

methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate (PubChem CID 103493525) has the molecular formula C7H14ClNO5S and a molecular weight of 259.71 g/mol. Its IUPAC name is methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
PubChem CID103493525
Molecular FormulaC7H14ClNO5S
Molecular Weight259.71 g/mol
Exact Mass259.03
IUPAC Namemethyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
SMILESCOCCS(=O)(=O)NCC(Cl)C(=O)OC
InChIInChI=1S/C7H14ClNO5S/c1-13-3-4-15(11,12)9-5-6(8)7(10)14-2/h6,9H,3-5H2,1-2H3
InChIKeyYGFVMTLQQSQPRB-UHFFFAOYSA-N
XLogP-0.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate 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 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
N-[2-(2-aminoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106116359
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
CID 103493513
N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118276
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate?
The IUPAC name of methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate (CID 103493525) is methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate?
The canonical SMILES for methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate is COCCS(=O)(=O)NCC(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate?
The InChIKey is YGFVMTLQQSQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO5S/c1-13-3-4-15(11,12)9-5-6(8)7(10)14-2/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate?
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate has a molecular weight of 259.71 g/mol, XLogP of -0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate is sourced from PubChem (CID 103493525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).