methyl 2-chloro-3-(methanesulfonamido)propanoate

C5H10ClNO4S — CID 103493482

IUPACmethyl 2-chloro-3-(methanesulfonamido)propanoate
SMILESCOC(=O)C(Cl)CNS(C)(=O)=O
InChIInChI=1S/C5H10ClNO4S/c1-11-5(8)4(6)3-7-12(2,9)10/h4,7H,3H2,1-2H3
InChIKeyHKYRVXLCRXJSOA-UHFFFAOYSA-N
MW215.66 g/mol
LogP-0.68
Rot. Bonds4

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

methyl 2-chloro-3-(methanesulfonamido)propanoate (PubChem CID 103493482) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is methyl 2-chloro-3-(methanesulfonamido)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(methanesulfonamido)propanoate
PubChem CID103493482
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Namemethyl 2-chloro-3-(methanesulfonamido)propanoate
SMILESCOC(=O)C(Cl)CNS(C)(=O)=O
InChIInChI=1S/C5H10ClNO4S/c1-11-5(8)4(6)3-7-12(2,9)10/h4,7H,3H2,1-2H3
InChIKeyHKYRVXLCRXJSOA-UHFFFAOYSA-N
XLogP-0.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
CID 103493513
methyl 2-chloro-3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 103493569
methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 103493543
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
methyl 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-chloropropanoate
CID 103493476
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-chloro-3-(nonylamino)propanoate
CID 103491742
methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
CID 103492943
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(methanesulfonamido)propanoate?
The IUPAC name of methyl 2-chloro-3-(methanesulfonamido)propanoate (CID 103493482) is methyl 2-chloro-3-(methanesulfonamido)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(methanesulfonamido)propanoate?
The canonical SMILES for methyl 2-chloro-3-(methanesulfonamido)propanoate is COC(=O)C(Cl)CNS(C)(=O)=O.
What is the InChIKey of methyl 2-chloro-3-(methanesulfonamido)propanoate?
The InChIKey is HKYRVXLCRXJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4S/c1-11-5(8)4(6)3-7-12(2,9)10/h4,7H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-3-(methanesulfonamido)propanoate?
methyl 2-chloro-3-(methanesulfonamido)propanoate has a molecular weight of 215.66 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(methanesulfonamido)propanoate is sourced from PubChem (CID 103493482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).