ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate

C11H21NO5S — CID 62048458

IUPACethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H21NO5S/c1-3-17-11(13)4-7-12(2)18(14,15)10-5-8-16-9-6-10/h10H,3-9H2,1-2H3
InChIKeyXVOMBKOOHRPZEQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.38
Rot. Bonds6

About ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate

ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate (PubChem CID 62048458) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate
PubChem CID62048458
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H21NO5S/c1-3-17-11(13)4-7-12(2)18(14,15)10-5-8-16-9-6-10/h10H,3-9H2,1-2H3
InChIKeyXVOMBKOOHRPZEQ-UHFFFAOYSA-N
XLogP0.38
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 62047555
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 62048631
N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide
CID 62048421
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
CID 55173272
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046
N-(2-bromoethyl)-N-propyloxane-4-sulfonamide
CID 80672077
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate (CID 62048458) is ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate is CCOC(=O)CCN(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate?
The InChIKey is XVOMBKOOHRPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-17-11(13)4-7-12(2)18(14,15)10-5-8-16-9-6-10/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate?
ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate has a molecular weight of 279.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate is sourced from PubChem (CID 62048458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).