ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate

C10H21NO5S — CID 55173272

IUPACethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)CCCOC
InChIInChI=1S/C10H21NO5S/c1-4-16-10(12)6-7-11(2)17(13,14)9-5-8-15-3/h4-9H2,1-3H3
InChIKeyXWFOIRLFQXTVRX-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.24
Rot. Bonds9

About ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate

ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate (PubChem CID 55173272) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
PubChem CID55173272
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Nameethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)CCCOC
InChIInChI=1S/C10H21NO5S/c1-4-16-10(12)6-7-11(2)17(13,14)9-5-8-15-3/h4-9H2,1-3H3
InChIKeyXWFOIRLFQXTVRX-UHFFFAOYSA-N
XLogP0.24
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methoxypropylsulfonyl(methyl)amino]propanethioamide
CID 63290273
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate
CID 62686433
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
ethyl 5-methoxypentanoate
CID 21476247
2-[butylsulfonyl(methyl)amino]ethyl 3-[2-[butylsulfonyl(methyl)amino]ethoxy]propanoate
CID 102142999
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
ethyl 3-[(3-amino-4-methylpentyl)-methylsulfamoyl]propanoate
CID 115317613
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
2-[2-[3-methoxypropylsulfonyl(methyl)amino]ethyl]benzoic acid
CID 104547120
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate (CID 55173272) is ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate is CCOC(=O)CCN(C)S(=O)(=O)CCCOC.
What is the InChIKey of ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate?
The InChIKey is XWFOIRLFQXTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-4-16-10(12)6-7-11(2)17(13,14)9-5-8-15-3/h4-9H2,1-3H3.
What are the key properties of ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate?
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate has a molecular weight of 267.35 g/mol, XLogP of 0.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate is sourced from PubChem (CID 55173272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).