2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate

C11H21NO5S — CID 151908429

IUPAC2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate
SMILESCCC=CC(=O)OCCN(CC)OS(=O)(=O)CC
InChIInChI=1S/C11H21NO5S/c1-4-7-8-11(13)16-10-9-12(5-2)17-18(14,15)6-3/h7-8H,4-6,9-10H2,1-3H3
InChIKeySUFWPZJKRBMEND-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.10
Rot. Bonds9

About 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate

2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate (PubChem CID 151908429) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate.

Molecular Properties

Compound Name2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate
PubChem CID151908429
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate
SMILESCCC=CC(=O)OCCN(CC)OS(=O)(=O)CC
InChIInChI=1S/C11H21NO5S/c1-4-7-8-11(13)16-10-9-12(5-2)17-18(14,15)6-3/h7-8H,4-6,9-10H2,1-3H3
InChIKeySUFWPZJKRBMEND-UHFFFAOYSA-N
XLogP1.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-aminoethyl pent-2-enoate;sulfuric acid
CID 174928511
ethyl (Z)-pent-2-enoate
CID 11332473
2-butanoyloxyethyl pent-2-enoate
CID 173000504
methyl (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoate
CID 10734062
bis[2-[methyl(methylsulfonyl)amino]ethyl] (E)-but-2-enedioate
CID 90410925
2,2-dimethylpropyl pent-2-enoate
CID 141038283
1,1-difluoro-2-[(E)-pent-2-enoyl]oxyethanesulfonic acid
CID 129070614
prop-2-ynyl (E)-pent-2-enoate
CID 131234881
(E)-4-[2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 118562744
1-O-[(E)-hex-3-enyl] 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91697840
2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031
(E)-4-[(Z)-hex-3-enoxy]-4-oxobut-2-enoic acid
CID 87622637

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate?
The IUPAC name of 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate (CID 151908429) is 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate.
What is the SMILES notation for 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate?
The canonical SMILES for 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate is CCC=CC(=O)OCCN(CC)OS(=O)(=O)CC.
What is the InChIKey of 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate?
The InChIKey is SUFWPZJKRBMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-4-7-8-11(13)16-10-9-12(5-2)17-18(14,15)6-3/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate?
2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate has a molecular weight of 279.36 g/mol, XLogP of 1.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(ethylsulfonyloxy)amino]ethyl pent-2-enoate is sourced from PubChem (CID 151908429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).