ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate

C7H15NO6S2 — CID 82842273

IUPACethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-4-14-7(9)6(2)8-16(12,13)5-15(3,10)11/h6,8H,4-5H2,1-3H3
InChIKeyDJWVIMLVGIRGNT-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.14
Rot. Bonds6

About ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate

ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate (PubChem CID 82842273) has the molecular formula C7H15NO6S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
PubChem CID82842273
Molecular FormulaC7H15NO6S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Nameethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-4-14-7(9)6(2)8-16(12,13)5-15(3,10)11/h6,8H,4-5H2,1-3H3
InChIKeyDJWVIMLVGIRGNT-UHFFFAOYSA-N
XLogP-1.14
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781
ethyl 2-[(4-amino-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 79588437
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
CID 22627927
(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
CID 107564884
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
ethyl 2-(fluoroamino)propanoate
CID 89108988
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl (2S)-2-methylsulfonylpropanoate
CID 93493008
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate?
The IUPAC name of ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate (CID 82842273) is ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate.
What is the SMILES notation for ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate?
The canonical SMILES for ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate is CCOC(=O)C(C)NS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate?
The InChIKey is DJWVIMLVGIRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6S2/c1-4-14-7(9)6(2)8-16(12,13)5-15(3,10)11/h6,8H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate?
ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate has a molecular weight of 273.33 g/mol, XLogP of -1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate is sourced from PubChem (CID 82842273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).