[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

C14H23NO4S — CID 129190181

IUPAC[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1CC2CNS(=O)(=O)CC
InChIInChI=1S/C14H23NO4S/c1-4-20(17,18)15-8-12-6-11-5-10(12)7-13(11)19-14(16)9(2)3/h10-13,15H,2,4-8H2,1,3H3
InChIKeyZGKYLDAMBRYLEL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.46
Rot. Bonds6

About [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (PubChem CID 129190181) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
PubChem CID129190181
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1CC2CNS(=O)(=O)CC
InChIInChI=1S/C14H23NO4S/c1-4-20(17,18)15-8-12-6-11-5-10(12)7-13(11)19-14(16)9(2)3/h10-13,15H,2,4-8H2,1,3H3
InChIKeyZGKYLDAMBRYLEL-UHFFFAOYSA-N
XLogP1.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[5-[(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 87413060
(5-propyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58963993
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776
[5-(iodomethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163926721
[5-(2-ethyl-2-hydroxybutyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163675074
[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 59616257
[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 102070522
[5-[3,3,3-trifluoro-2-iodooxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 170046372
[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate
CID 58980529
[5-[2-(5-oxooxolan-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 22709211
(12-ethyl-4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecanyl) 2-methylprop-2-enoate
CID 58670484
[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
CID 89091482

Frequently Asked Questions

What is the IUPAC name of [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (CID 129190181) is [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1CC2CNS(=O)(=O)CC.
What is the InChIKey of [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The InChIKey is ZGKYLDAMBRYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-20(17,18)15-8-12-6-11-5-10(12)7-13(11)19-14(16)9(2)3/h10-13,15H,2,4-8H2,1,3H3.
What are the key properties of [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate has a molecular weight of 301.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129190181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).