methyl 2-(ethylsulfonylamino)propanoate

C6H13NO4S — CID 14004830

IUPACmethyl 2-(ethylsulfonylamino)propanoate
SMILESCCS(=O)(=O)NC(C)C(=O)OC
InChIInChI=1S/C6H13NO4S/c1-4-12(9,10)7-5(2)6(8)11-3/h5,7H,4H2,1-3H3
InChIKeyCDTOVBBGKDGYAZ-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds4

About methyl 2-(ethylsulfonylamino)propanoate

methyl 2-(ethylsulfonylamino)propanoate (PubChem CID 14004830) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 2-(ethylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylsulfonylamino)propanoate
PubChem CID14004830
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Namemethyl 2-(ethylsulfonylamino)propanoate
SMILESCCS(=O)(=O)NC(C)C(=O)OC
InChIInChI=1S/C6H13NO4S/c1-4-12(9,10)7-5(2)6(8)11-3/h5,7H,4H2,1-3H3
InChIKeyCDTOVBBGKDGYAZ-UHFFFAOYSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L-cysteate(1-)
CID 7140381
2-Ethanesulfonamidopropanoic acid
CID 16228507
Methyl 2-amino-4-sulfamoylbutanoate
CID 54407912
Methyl 2-amino-4-methanesulfonylbutanoate
CID 13976100
Methyl 1,1-dioxo-1lambda6,2-thiazolidine-3-carboxylate
CID 11240805
L-methionine sulphone, methyl este HCl
CID 88330346
Methyl 2-amino-4-sulfamoylbutanoate hydrochloride
CID 88361782
Methyl 2-(2-aminoethanesulfonamido)acetate hydrochloride
CID 145433285
Methyl 2-amino-4-sulfobutanoate hydrochloride
CID 165950943
(2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate
CID 1550140
Methyl 3-(cyclopropylsulfamoyl)propanoate
CID 51711452
Methyl 2-(cyclopropylsulfamoyl)acetate
CID 64541407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylsulfonylamino)propanoate?
The IUPAC name of methyl 2-(ethylsulfonylamino)propanoate (CID 14004830) is methyl 2-(ethylsulfonylamino)propanoate.
What is the SMILES notation for methyl 2-(ethylsulfonylamino)propanoate?
The canonical SMILES for methyl 2-(ethylsulfonylamino)propanoate is CCS(=O)(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylsulfonylamino)propanoate?
The InChIKey is CDTOVBBGKDGYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4-12(9,10)7-5(2)6(8)11-3/h5,7H,4H2,1-3H3.
What are the key properties of methyl 2-(ethylsulfonylamino)propanoate?
methyl 2-(ethylsulfonylamino)propanoate has a molecular weight of 195.24 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylsulfonylamino)propanoate is sourced from PubChem (CID 14004830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).