propyl 2-(hexylsulfonylamino)prop-2-enoate

C12H23NO4S — CID 174510309

IUPACpropyl 2-(hexylsulfonylamino)prop-2-enoate
SMILESC=C(NS(=O)(=O)CCCCCC)C(=O)OCCC
InChIInChI=1S/C12H23NO4S/c1-4-6-7-8-10-18(15,16)13-11(3)12(14)17-9-5-2/h13H,3-10H2,1-2H3
InChIKeyKGTZXTRIFOIMEI-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.95
Rot. Bonds10

About propyl 2-(hexylsulfonylamino)prop-2-enoate

propyl 2-(hexylsulfonylamino)prop-2-enoate (PubChem CID 174510309) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is propyl 2-(hexylsulfonylamino)prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-(hexylsulfonylamino)prop-2-enoate
PubChem CID174510309
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namepropyl 2-(hexylsulfonylamino)prop-2-enoate
SMILESC=C(NS(=O)(=O)CCCCCC)C(=O)OCCC
InChIInChI=1S/C12H23NO4S/c1-4-6-7-8-10-18(15,16)13-11(3)12(14)17-9-5-2/h13H,3-10H2,1-2H3
InChIKeyKGTZXTRIFOIMEI-UHFFFAOYSA-N
XLogP1.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-nonylsulfonylacetamide
CID 87711188
butyl 3,3,4,4-tetrafluoro-2-methylidene-4-(octylsulfonylamino)butanoate
CID 56991574
propyl 2-octoxyprop-2-enoate
CID 139651501
N-pentylsulfonylundecanamide
CID 87719410
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
ethyl 2-(ethylsulfonylamino)prop-2-enoate
CID 11469827
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
CID 88573346
N-butylsulfonylhexadecanamide
CID 58954596
undecane-1-sulfonohydrazide
CID 174980858

Frequently Asked Questions

What is the IUPAC name of propyl 2-(hexylsulfonylamino)prop-2-enoate?
The IUPAC name of propyl 2-(hexylsulfonylamino)prop-2-enoate (CID 174510309) is propyl 2-(hexylsulfonylamino)prop-2-enoate.
What is the SMILES notation for propyl 2-(hexylsulfonylamino)prop-2-enoate?
The canonical SMILES for propyl 2-(hexylsulfonylamino)prop-2-enoate is C=C(NS(=O)(=O)CCCCCC)C(=O)OCCC.
What is the InChIKey of propyl 2-(hexylsulfonylamino)prop-2-enoate?
The InChIKey is KGTZXTRIFOIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-4-6-7-8-10-18(15,16)13-11(3)12(14)17-9-5-2/h13H,3-10H2,1-2H3.
What are the key properties of propyl 2-(hexylsulfonylamino)prop-2-enoate?
propyl 2-(hexylsulfonylamino)prop-2-enoate has a molecular weight of 277.39 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(hexylsulfonylamino)prop-2-enoate is sourced from PubChem (CID 174510309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).