[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate

C10H19NO5S — CID 118276877

IUPAC[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C(C)NCC)S(=O)(=O)OC
InChIInChI=1S/C10H19NO5S/c1-6-11-8(4)10(17(13,14)15-5)16-9(12)7(2)3/h8,10-11H,2,6H2,1,3-5H3
InChIKeyIYBVYYYGABXRHV-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.41
Rot. Bonds7

About [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate

[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate (PubChem CID 118276877) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate
PubChem CID118276877
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C(C)NCC)S(=O)(=O)OC
InChIInChI=1S/C10H19NO5S/c1-6-11-8(4)10(17(13,14)15-5)16-9(12)7(2)3/h8,10-11H,2,6H2,1,3-5H3
InChIKeyIYBVYYYGABXRHV-UHFFFAOYSA-N
XLogP0.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate
CID 139973187
propan-2-yl 2-methylprop-2-enoate
CID 146421311
methyl hydrogen sulfate;2-(pentan-3-ylamino)ethyl 2-methylprop-2-enoate
CID 173435618
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
(1-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 23431556
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-[2-[1-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 23044369
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 2-methylprop-2-enoate
CID 160696452

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate (CID 118276877) is [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C(C)NCC)S(=O)(=O)OC.
What is the InChIKey of [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate?
The InChIKey is IYBVYYYGABXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-6-11-8(4)10(17(13,14)15-5)16-9(12)7(2)3/h8,10-11H,2,6H2,1,3-5H3.
What are the key properties of [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate?
[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate has a molecular weight of 265.33 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118276877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).