4-ethenylsulfonylbutan-1-amine

C6H13NO2S — CID 19792574

IUPAC4-ethenylsulfonylbutan-1-amine
SMILESC=CS(=O)(=O)CCCCN
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h2H,1,3-7H2
InChIKeyVVVCHEAIRYKNAT-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.28
Rot. Bonds5

About 4-ethenylsulfonylbutan-1-amine

4-ethenylsulfonylbutan-1-amine (PubChem CID 19792574) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-ethenylsulfonylbutan-1-amine.

Molecular Properties

Compound Name4-ethenylsulfonylbutan-1-amine
PubChem CID19792574
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-ethenylsulfonylbutan-1-amine
SMILESC=CS(=O)(=O)CCCCN
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h2H,1,3-7H2
InChIKeyVVVCHEAIRYKNAT-UHFFFAOYSA-N
XLogP0.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonylbutan-1-amine?
The IUPAC name of 4-ethenylsulfonylbutan-1-amine (CID 19792574) is 4-ethenylsulfonylbutan-1-amine.
What is the SMILES notation for 4-ethenylsulfonylbutan-1-amine?
The canonical SMILES for 4-ethenylsulfonylbutan-1-amine is C=CS(=O)(=O)CCCCN.
What is the InChIKey of 4-ethenylsulfonylbutan-1-amine?
The InChIKey is VVVCHEAIRYKNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h2H,1,3-7H2.
What are the key properties of 4-ethenylsulfonylbutan-1-amine?
4-ethenylsulfonylbutan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonylbutan-1-amine is sourced from PubChem (CID 19792574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).