2-(sulfonylamino)ethyl prop-2-enoate

C5H7NO4S — CID 88503006

IUPAC2-(sulfonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN=S(=O)=O
InChIInChI=1S/C5H7NO4S/c1-2-5(7)10-4-3-6-11(8)9/h2H,1,3-4H2
InChIKeySSHAQAUMTREYJB-UHFFFAOYSA-N
MW177.18 g/mol
LogP-0.22
Rot. Bonds4

About 2-(sulfonylamino)ethyl prop-2-enoate

2-(sulfonylamino)ethyl prop-2-enoate (PubChem CID 88503006) has the molecular formula C5H7NO4S and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(sulfonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(sulfonylamino)ethyl prop-2-enoate
PubChem CID88503006
Molecular FormulaC5H7NO4S
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name2-(sulfonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN=S(=O)=O
InChIInChI=1S/C5H7NO4S/c1-2-5(7)10-4-3-6-11(8)9/h2H,1,3-4H2
InChIKeySSHAQAUMTREYJB-UHFFFAOYSA-N
XLogP-0.22
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-nitrosopropyl prop-2-enoate
CID 88958376
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-prop-2-enoyloxypropane-1-sulfinic acid
CID 22076177
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
ethyl prop-2-enoate;2-isocyanatoethyl prop-2-enoate
CID 175563767
2-isocyanatoethyl prop-2-enoate;methyl prop-2-enoate
CID 174978491
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326

Frequently Asked Questions

What is the IUPAC name of 2-(sulfonylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(sulfonylamino)ethyl prop-2-enoate (CID 88503006) is 2-(sulfonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(sulfonylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(sulfonylamino)ethyl prop-2-enoate is C=CC(=O)OCCN=S(=O)=O.
What is the InChIKey of 2-(sulfonylamino)ethyl prop-2-enoate?
The InChIKey is SSHAQAUMTREYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4S/c1-2-5(7)10-4-3-6-11(8)9/h2H,1,3-4H2.
What are the key properties of 2-(sulfonylamino)ethyl prop-2-enoate?
2-(sulfonylamino)ethyl prop-2-enoate has a molecular weight of 177.18 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 88503006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).