3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine

C11H23NO2S2 — CID 167165865

IUPAC3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine
SMILESC=CS(=O)(=O)CCCSCCCNCCC
InChIInChI=1S/C11H23NO2S2/c1-3-7-12-8-5-9-15-10-6-11-16(13,14)4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyGBRKIOWEUOCUBI-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds11

About 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine

3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine (PubChem CID 167165865) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine
PubChem CID167165865
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC Name3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine
SMILESC=CS(=O)(=O)CCCSCCCNCCC
InChIInChI=1S/C11H23NO2S2/c1-3-7-12-8-5-9-15-10-6-11-16(13,14)4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyGBRKIOWEUOCUBI-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine (CID 167165865) is 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine is C=CS(=O)(=O)CCCSCCCNCCC.
What is the InChIKey of 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine?
The InChIKey is GBRKIOWEUOCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-3-7-12-8-5-9-15-10-6-11-16(13,14)4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine?
3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine is sourced from PubChem (CID 167165865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).