[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate

C11H19NO4S — CID 58980529

IUPAC[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC1NS(=O)(=O)CC
InChIInChI=1S/C11H19NO4S/c1-4-17(14,15)12-9-6-5-7-10(9)16-11(13)8(2)3/h9-10,12H,2,4-7H2,1,3H3
InChIKeyGVWLFFCHTNQAEN-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.97
Rot. Bonds5

About [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate

[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate (PubChem CID 58980529) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate
PubChem CID58980529
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC1NS(=O)(=O)CC
InChIInChI=1S/C11H19NO4S/c1-4-17(14,15)12-9-6-5-7-10(9)16-11(13)8(2)3/h9-10,12H,2,4-7H2,1,3H3
InChIKeyGVWLFFCHTNQAEN-UHFFFAOYSA-N
XLogP0.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 129190181
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978993
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
CID 71388892
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
CID 63665826
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230505
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
CID 129143087

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate (CID 58980529) is [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC1NS(=O)(=O)CC.
What is the InChIKey of [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is GVWLFFCHTNQAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-4-17(14,15)12-9-6-5-7-10(9)16-11(13)8(2)3/h9-10,12H,2,4-7H2,1,3H3.
What are the key properties of [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate?
[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 261.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58980529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).