1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine

C14H24N2O3S — CID 79795841

IUPAC1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCCCS(=O)(=O)CC)cn1
InChIInChI=1S/C14H24N2O3S/c1-3-12(15)10-13-6-7-14(11-16-13)19-8-5-9-20(17,18)4-2/h6-7,11-12H,3-5,8-10,15H2,1-2H3
InChIKeySSVYFQCGJGXLOO-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.57
Rot. Bonds9

About 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine

1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine (PubChem CID 79795841) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
PubChem CID79795841
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCCCS(=O)(=O)CC)cn1
InChIInChI=1S/C14H24N2O3S/c1-3-12(15)10-13-6-7-14(11-16-13)19-8-5-9-20(17,18)4-2/h6-7,11-12H,3-5,8-10,15H2,1-2H3
InChIKeySSVYFQCGJGXLOO-UHFFFAOYSA-N
XLogP1.57
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.57
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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Related Compounds

1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine
CID 106728424
methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 79796345
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine (CID 79795841) is 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(OCCCS(=O)(=O)CC)cn1.
What is the InChIKey of 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine?
The InChIKey is SSVYFQCGJGXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-12(15)10-13-6-7-14(11-16-13)19-8-5-9-20(17,18)4-2/h6-7,11-12H,3-5,8-10,15H2,1-2H3.
What are the key properties of 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine?
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine has a molecular weight of 300.42 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79795841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).