2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine

C8H15NO4S2 — CID 19834397

IUPAC2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine
SMILESC=CS(=O)(=O)CCNCCS(=O)(=O)C=C
InChIInChI=1S/C8H15NO4S2/c1-3-14(10,11)7-5-9-6-8-15(12,13)4-2/h3-4,9H,1-2,5-8H2
InChIKeyFIEVMROEZSXCTB-UHFFFAOYSA-N
MW253.34 g/mol
LogP-0.31
Rot. Bonds8

About 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine

2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine (PubChem CID 19834397) has the molecular formula C8H15NO4S2 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine
PubChem CID19834397
Molecular FormulaC8H15NO4S2
Molecular Weight253.34 g/mol
Exact Mass253.04
IUPAC Name2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine
SMILESC=CS(=O)(=O)CCNCCS(=O)(=O)C=C
InChIInChI=1S/C8H15NO4S2/c1-3-14(10,11)7-5-9-6-8-15(12,13)4-2/h3-4,9H,1-2,5-8H2
InChIKeyFIEVMROEZSXCTB-UHFFFAOYSA-N
XLogP-0.31
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine?
The IUPAC name of 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine (CID 19834397) is 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine?
The canonical SMILES for 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine is C=CS(=O)(=O)CCNCCS(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine?
The InChIKey is FIEVMROEZSXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S2/c1-3-14(10,11)7-5-9-6-8-15(12,13)4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine?
2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine has a molecular weight of 253.34 g/mol, XLogP of -0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine is sourced from PubChem (CID 19834397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).