(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene

C10H22N2O2S — CID 115628789

IUPAC(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene
SMILESC/C=C/CCNS(=O)(=O)N(C)CCCC
InChIInChI=1S/C10H22N2O2S/c1-4-6-8-9-11-15(13,14)12(3)10-7-5-2/h4,6,11H,5,7-10H2,1-3H3/b6-4+
InChIKeyUZBIQPWVIBEXHA-GQCTYLIASA-N
MW234.36 g/mol
LogP1.52
Rot. Bonds8

About (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene

(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene (PubChem CID 115628789) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene.

Molecular Properties

Compound Name(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene
PubChem CID115628789
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene
SMILESC/C=C/CCNS(=O)(=O)N(C)CCCC
InChIInChI=1S/C10H22N2O2S/c1-4-6-8-9-11-15(13,14)12(3)10-7-5-2/h4,6,11H,5,7-10H2,1-3H3/b6-4+
InChIKeyUZBIQPWVIBEXHA-GQCTYLIASA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
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)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene?
The IUPAC name of (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene (CID 115628789) is (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene.
What is the SMILES notation for (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene?
The canonical SMILES for (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene is C/C=C/CCNS(=O)(=O)N(C)CCCC.
What is the InChIKey of (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene?
The InChIKey is UZBIQPWVIBEXHA-GQCTYLIASA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-6-8-9-11-15(13,14)12(3)10-7-5-2/h4,6,11H,5,7-10H2,1-3H3/b6-4+.
What are the key properties of (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene?
(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene has a molecular weight of 234.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene is sourced from PubChem (CID 115628789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).