azane;3-ethoxyprop-1-ene;sulfuric acid

C5H15NO5S — CID 175196080

IUPACazane;3-ethoxyprop-1-ene;sulfuric acid
SMILESC=CCOCC.N.O=S(=O)(O)O
InChIInChI=1S/C5H10O.H3N.H2O4S/c1-3-5-6-4-2;;1-5(2,3)4/h3H,1,4-5H2,2H3;1H3;(H2,1,2,3,4)
InChIKeyDWNZRFNUEGOAEP-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.72
Rot. Bonds3

About azane;3-ethoxyprop-1-ene;sulfuric acid

azane;3-ethoxyprop-1-ene;sulfuric acid (PubChem CID 175196080) has the molecular formula C5H15NO5S and a molecular weight of 201.24 g/mol. Its IUPAC name is azane;3-ethoxyprop-1-ene;sulfuric acid.

Molecular Properties

Compound Nameazane;3-ethoxyprop-1-ene;sulfuric acid
PubChem CID175196080
Molecular FormulaC5H15NO5S
Molecular Weight201.24 g/mol
Exact Mass201.07
IUPAC Nameazane;3-ethoxyprop-1-ene;sulfuric acid
SMILESC=CCOCC.N.O=S(=O)(O)O
InChIInChI=1S/C5H10O.H3N.H2O4S/c1-3-5-6-4-2;;1-5(2,3)4/h3H,1,4-5H2,2H3;1H3;(H2,1,2,3,4)
InChIKeyDWNZRFNUEGOAEP-UHFFFAOYSA-N
XLogP0.72
TPSA118.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
sodium;dodecane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 174547784
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
ethene;ethoxyethane;phenol;prop-2-enyl hydrogen sulfate
CID 173424434
CID 87404163
CID 87404163
prop-2-enyl hydrogen sulfate;tetradecane
CID 87113909
CID 88655409
CID 88655409
sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid
CID 173133422
sodium;ethyl prop-2-enyl sulfate;hydride
CID 173210575
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
2-ethoxyethanol;sulfuric acid
CID 87749123
1-dodecoxydodecane;prop-2-enyl hydrogen sulfate;sulfuric acid
CID 174806499

Frequently Asked Questions

What is the IUPAC name of azane;3-ethoxyprop-1-ene;sulfuric acid?
The IUPAC name of azane;3-ethoxyprop-1-ene;sulfuric acid (CID 175196080) is azane;3-ethoxyprop-1-ene;sulfuric acid.
What is the SMILES notation for azane;3-ethoxyprop-1-ene;sulfuric acid?
The canonical SMILES for azane;3-ethoxyprop-1-ene;sulfuric acid is C=CCOCC.N.O=S(=O)(O)O.
What is the InChIKey of azane;3-ethoxyprop-1-ene;sulfuric acid?
The InChIKey is DWNZRFNUEGOAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.H3N.H2O4S/c1-3-5-6-4-2;;1-5(2,3)4/h3H,1,4-5H2,2H3;1H3;(H2,1,2,3,4).
What are the key properties of azane;3-ethoxyprop-1-ene;sulfuric acid?
azane;3-ethoxyprop-1-ene;sulfuric acid has a molecular weight of 201.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethoxyprop-1-ene;sulfuric acid is sourced from PubChem (CID 175196080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).