ethyl(2-fluoroprop-2-enyl)sulfamic acid

C5H10FNO3S — CID 156663415

IUPACethyl(2-fluoroprop-2-enyl)sulfamic acid
SMILESC=C(F)CN(CC)S(=O)(=O)O
InChIInChI=1S/C5H10FNO3S/c1-3-7(4-5(2)6)11(8,9)10/h2-4H2,1H3,(H,8,9,10)
InChIKeyAGDBKMFFNYWRMM-UHFFFAOYSA-N
MW183.20 g/mol
LogP0.59
Rot. Bonds4

About ethyl(2-fluoroprop-2-enyl)sulfamic acid

ethyl(2-fluoroprop-2-enyl)sulfamic acid (PubChem CID 156663415) has the molecular formula C5H10FNO3S and a molecular weight of 183.20 g/mol. Its IUPAC name is ethyl(2-fluoroprop-2-enyl)sulfamic acid.

Molecular Properties

Compound Nameethyl(2-fluoroprop-2-enyl)sulfamic acid
PubChem CID156663415
Molecular FormulaC5H10FNO3S
Molecular Weight183.20 g/mol
Exact Mass183.04
IUPAC Nameethyl(2-fluoroprop-2-enyl)sulfamic acid
SMILESC=C(F)CN(CC)S(=O)(=O)O
InChIInChI=1S/C5H10FNO3S/c1-3-7(4-5(2)6)11(8,9)10/h2-4H2,1H3,(H,8,9,10)
InChIKeyAGDBKMFFNYWRMM-UHFFFAOYSA-N
XLogP0.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
CID 46556061
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide
CID 16723589
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
2-[octyl(sulfo)amino]acetic acid
CID 88730489

Frequently Asked Questions

What is the IUPAC name of ethyl(2-fluoroprop-2-enyl)sulfamic acid?
The IUPAC name of ethyl(2-fluoroprop-2-enyl)sulfamic acid (CID 156663415) is ethyl(2-fluoroprop-2-enyl)sulfamic acid.
What is the SMILES notation for ethyl(2-fluoroprop-2-enyl)sulfamic acid?
The canonical SMILES for ethyl(2-fluoroprop-2-enyl)sulfamic acid is C=C(F)CN(CC)S(=O)(=O)O.
What is the InChIKey of ethyl(2-fluoroprop-2-enyl)sulfamic acid?
The InChIKey is AGDBKMFFNYWRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO3S/c1-3-7(4-5(2)6)11(8,9)10/h2-4H2,1H3,(H,8,9,10).
What are the key properties of ethyl(2-fluoroprop-2-enyl)sulfamic acid?
ethyl(2-fluoroprop-2-enyl)sulfamic acid has a molecular weight of 183.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-fluoroprop-2-enyl)sulfamic acid is sourced from PubChem (CID 156663415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).