[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate

C10H19NO4S — CID 138541574

IUPAC[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate
SMILESC=CCC(CC=C)C(NCC)OS(=O)(=O)O
InChIInChI=1S/C10H19NO4S/c1-4-7-9(8-5-2)10(11-6-3)15-16(12,13)14/h4-5,9-11H,1-2,6-8H2,3H3,(H,12,13,14)
InChIKeyIUORCIQNYABKGI-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.51
Rot. Bonds9

About [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate

[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate (PubChem CID 138541574) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate.

Molecular Properties

Compound Name[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate
PubChem CID138541574
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate
SMILESC=CCC(CC=C)C(NCC)OS(=O)(=O)O
InChIInChI=1S/C10H19NO4S/c1-4-7-9(8-5-2)10(11-6-3)15-16(12,13)14/h4-5,9-11H,1-2,6-8H2,3H3,(H,12,13,14)
InChIKeyIUORCIQNYABKGI-UHFFFAOYSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate 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

3-prop-2-enylhex-5-en-2-yl hydrogen sulfate
CID 141203293
pent-1-en-3-yl hydrogen sulfate
CID 87155299
2-(ethylamino)pent-4-enamide
CID 129260438
N-ethyl-7-ethylsulfonylhept-1-en-4-amine
CID 116660795
3-prop-2-enylhex-5-en-2-amine;sulfur dioxide;sulfuric acid
CID 175053708
methyl 2-(trifluoromethylsulfonyloxy)pent-4-enoate
CID 59544976
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107
2-(ethylamino)propyl hydrogen sulfate
CID 123389087
5-methylsulfonyloxyocta-1,7-dien-4-yl methanesulfonate
CID 12977976
N-ethyl-1-methylsulfonylhex-5-en-2-amine
CID 115631216
methyl hydrogen sulfate;2-(2-prop-2-enylpent-4-enylamino)ethanol
CID 175720833
1-amino-3-prop-2-enylhex-5-ene-2-sulfonic acid;hydrochloride
CID 126616062

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate?
The IUPAC name of [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate (CID 138541574) is [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate.
What is the SMILES notation for [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate?
The canonical SMILES for [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate is C=CCC(CC=C)C(NCC)OS(=O)(=O)O.
What is the InChIKey of [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate?
The InChIKey is IUORCIQNYABKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-7-9(8-5-2)10(11-6-3)15-16(12,13)14/h4-5,9-11H,1-2,6-8H2,3H3,(H,12,13,14).
What are the key properties of [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate?
[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate has a molecular weight of 249.33 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate is sourced from PubChem (CID 138541574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).