(E)-5-(sulfamoylamino)pent-2-ene

C5H12N2O2S — CID 115628770

IUPAC(E)-5-(sulfamoylamino)pent-2-ene
SMILESC/C=C/CCNS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-3-4-5-7-10(6,8)9/h2-3,7H,4-5H2,1H3,(H2,6,8,9)/b3-2+
InChIKeyVATOPFGTIXOCHM-NSCUHMNNSA-N
MW164.23 g/mol
LogP-0.25
Rot. Bonds4

About (E)-5-(sulfamoylamino)pent-2-ene

(E)-5-(sulfamoylamino)pent-2-ene (PubChem CID 115628770) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (E)-5-(sulfamoylamino)pent-2-ene.

Molecular Properties

Compound Name(E)-5-(sulfamoylamino)pent-2-ene
PubChem CID115628770
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(E)-5-(sulfamoylamino)pent-2-ene
SMILESC/C=C/CCNS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-3-4-5-7-10(6,8)9/h2-3,7H,4-5H2,1H3,(H2,6,8,9)/b3-2+
InChIKeyVATOPFGTIXOCHM-NSCUHMNNSA-N
XLogP-0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.25
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)-5-(sulfamoylamino)pent-2-ene?
The IUPAC name of (E)-5-(sulfamoylamino)pent-2-ene (CID 115628770) is (E)-5-(sulfamoylamino)pent-2-ene.
What is the SMILES notation for (E)-5-(sulfamoylamino)pent-2-ene?
The canonical SMILES for (E)-5-(sulfamoylamino)pent-2-ene is C/C=C/CCNS(N)(=O)=O.
What is the InChIKey of (E)-5-(sulfamoylamino)pent-2-ene?
The InChIKey is VATOPFGTIXOCHM-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-3-4-5-7-10(6,8)9/h2-3,7H,4-5H2,1H3,(H2,6,8,9)/b3-2+.
What are the key properties of (E)-5-(sulfamoylamino)pent-2-ene?
(E)-5-(sulfamoylamino)pent-2-ene has a molecular weight of 164.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(sulfamoylamino)pent-2-ene is sourced from PubChem (CID 115628770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).