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

C8H18N2O2S — CID 114807257

IUPAC(E)-N-(propylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NCCC
InChIInChI=1S/C8H18N2O2S/c1-3-5-6-8-10-13(11,12)9-7-4-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+
InChIKeyOLKHFWPOLFZXOF-HWKANZROSA-N
MW206.31 g/mol
LogP0.79
Rot. Bonds7

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

(E)-N-(propylsulfamoyl)pent-3-en-1-amine (PubChem CID 114807257) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (E)-N-(propylsulfamoyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(propylsulfamoyl)pent-3-en-1-amine
PubChem CID114807257
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(E)-N-(propylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NCCC
InChIInChI=1S/C8H18N2O2S/c1-3-5-6-8-10-13(11,12)9-7-4-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+
InChIKeyOLKHFWPOLFZXOF-HWKANZROSA-N
XLogP0.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.79
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-(propylsulfamoyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(propylsulfamoyl)pent-3-en-1-amine (CID 114807257) is (E)-N-(propylsulfamoyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(propylsulfamoyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(propylsulfamoyl)pent-3-en-1-amine is C/C=C/CCNS(=O)(=O)NCCC.
What is the InChIKey of (E)-N-(propylsulfamoyl)pent-3-en-1-amine?
The InChIKey is OLKHFWPOLFZXOF-HWKANZROSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-5-6-8-10-13(11,12)9-7-4-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(propylsulfamoyl)pent-3-en-1-amine?
(E)-N-(propylsulfamoyl)pent-3-en-1-amine has a molecular weight of 206.31 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(propylsulfamoyl)pent-3-en-1-amine is sourced from PubChem (CID 114807257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).