8-propylsulfonyloctan-4-amine

C11H25NO2S — CID 106732204

IUPAC8-propylsulfonyloctan-4-amine
SMILESCCCC(N)CCCCS(=O)(=O)CCC
InChIInChI=1S/C11H25NO2S/c1-3-7-11(12)8-5-6-10-15(13,14)9-4-2/h11H,3-10,12H2,1-2H3
InChIKeyLBOIFNMPVXXILU-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.11
Rot. Bonds9

About 8-propylsulfonyloctan-4-amine

8-propylsulfonyloctan-4-amine (PubChem CID 106732204) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 8-propylsulfonyloctan-4-amine.

Molecular Properties

Compound Name8-propylsulfonyloctan-4-amine
PubChem CID106732204
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name8-propylsulfonyloctan-4-amine
SMILESCCCC(N)CCCCS(=O)(=O)CCC
InChIInChI=1S/C11H25NO2S/c1-3-7-11(12)8-5-6-10-15(13,14)9-4-2/h11H,3-10,12H2,1-2H3
InChIKeyLBOIFNMPVXXILU-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.11
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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Related Compounds

8-propan-2-ylsulfonyloctan-4-amine
CID 106732205
(4R)-tridecan-4-amine
CID 150614684
4-decylsulfonylbutan-2-amine
CID 81195492
7-propylsulfonylheptan-3-ol
CID 106732439
5-bromo-1-propylsulfonylheptane
CID 106732536
decan-4-amine;hydrochloride
CID 87728109
tetradecane-3,11-diamine
CID 170279817
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
1-octylsulfonylnonane
CID 19089492
pentacosan-13-amine;sulfuric acid
CID 135341364
1-methylsulfonylnonan-3-amine
CID 115848427

Frequently Asked Questions

What is the IUPAC name of 8-propylsulfonyloctan-4-amine?
The IUPAC name of 8-propylsulfonyloctan-4-amine (CID 106732204) is 8-propylsulfonyloctan-4-amine.
What is the SMILES notation for 8-propylsulfonyloctan-4-amine?
The canonical SMILES for 8-propylsulfonyloctan-4-amine is CCCC(N)CCCCS(=O)(=O)CCC.
What is the InChIKey of 8-propylsulfonyloctan-4-amine?
The InChIKey is LBOIFNMPVXXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-3-7-11(12)8-5-6-10-15(13,14)9-4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 8-propylsulfonyloctan-4-amine?
8-propylsulfonyloctan-4-amine has a molecular weight of 235.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propylsulfonyloctan-4-amine is sourced from PubChem (CID 106732204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).