(E)-N-(ethylsulfamoyl)pent-3-en-1-amine

C7H16N2O2S — CID 115638466

IUPAC(E)-N-(ethylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NCC
InChIInChI=1S/C7H16N2O2S/c1-3-5-6-7-9-12(10,11)8-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyXUQAJXIEZGVHOF-HWKANZROSA-N
MW192.28 g/mol
LogP0.40
Rot. Bonds6

About (E)-N-(ethylsulfamoyl)pent-3-en-1-amine

(E)-N-(ethylsulfamoyl)pent-3-en-1-amine (PubChem CID 115638466) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (E)-N-(ethylsulfamoyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(ethylsulfamoyl)pent-3-en-1-amine
PubChem CID115638466
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(E)-N-(ethylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NCC
InChIInChI=1S/C7H16N2O2S/c1-3-5-6-7-9-12(10,11)8-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyXUQAJXIEZGVHOF-HWKANZROSA-N
XLogP0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(ethylsulfamoyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(ethylsulfamoyl)pent-3-en-1-amine (CID 115638466) is (E)-N-(ethylsulfamoyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(ethylsulfamoyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(ethylsulfamoyl)pent-3-en-1-amine is C/C=C/CCNS(=O)(=O)NCC.
What is the InChIKey of (E)-N-(ethylsulfamoyl)pent-3-en-1-amine?
The InChIKey is XUQAJXIEZGVHOF-HWKANZROSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-5-6-7-9-12(10,11)8-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(ethylsulfamoyl)pent-3-en-1-amine?
(E)-N-(ethylsulfamoyl)pent-3-en-1-amine has a molecular weight of 192.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(ethylsulfamoyl)pent-3-en-1-amine is sourced from PubChem (CID 115638466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).