3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine

C10H19NO4S2 — CID 54537922

IUPAC3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine
SMILESC=CS(=O)(=O)CCCNCCCS(=O)(=O)C=C
InChIInChI=1S/C10H19NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h3-4,11H,1-2,5-10H2
InChIKeyMTZIIFKAJDDRQU-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.47
Rot. Bonds10

About 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine

3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine (PubChem CID 54537922) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine
PubChem CID54537922
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine
SMILESC=CS(=O)(=O)CCCNCCCS(=O)(=O)C=C
InChIInChI=1S/C10H19NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h3-4,11H,1-2,5-10H2
InChIKeyMTZIIFKAJDDRQU-UHFFFAOYSA-N
XLogP0.47
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.47
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 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine?
The IUPAC name of 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine (CID 54537922) is 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine.
What is the SMILES notation for 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine?
The canonical SMILES for 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine is C=CS(=O)(=O)CCCNCCCS(=O)(=O)C=C.
What is the InChIKey of 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine?
The InChIKey is MTZIIFKAJDDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h3-4,11H,1-2,5-10H2.
What are the key properties of 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine?
3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 0.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-N-(3-ethenylsulfonylpropyl)propan-1-amine is sourced from PubChem (CID 54537922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).