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

C6H14N2O2S — CID 114807255

IUPAC(E)-N-(methylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NC
InChIInChI=1S/C6H14N2O2S/c1-3-4-5-6-8-11(9,10)7-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyLWKZSMBBSYUBEU-ONEGZZNKSA-N
MW178.26 g/mol
LogP0.01
Rot. Bonds5

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

(E)-N-(methylsulfamoyl)pent-3-en-1-amine (PubChem CID 114807255) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (E)-N-(methylsulfamoyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(methylsulfamoyl)pent-3-en-1-amine
PubChem CID114807255
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(E)-N-(methylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NC
InChIInChI=1S/C6H14N2O2S/c1-3-4-5-6-8-11(9,10)7-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyLWKZSMBBSYUBEU-ONEGZZNKSA-N
XLogP0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.01
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-(methylsulfamoyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(methylsulfamoyl)pent-3-en-1-amine (CID 114807255) is (E)-N-(methylsulfamoyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(methylsulfamoyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(methylsulfamoyl)pent-3-en-1-amine is C/C=C/CCNS(=O)(=O)NC.
What is the InChIKey of (E)-N-(methylsulfamoyl)pent-3-en-1-amine?
The InChIKey is LWKZSMBBSYUBEU-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-3-4-5-6-8-11(9,10)7-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(methylsulfamoyl)pent-3-en-1-amine?
(E)-N-(methylsulfamoyl)pent-3-en-1-amine has a molecular weight of 178.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(methylsulfamoyl)pent-3-en-1-amine is sourced from PubChem (CID 114807255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).