[5-(butylsulfonylamino)-2-pyridinyl]methyl acetate

C12H18N2O4S — CID 67866029

IUPAC[5-(butylsulfonylamino)-2-pyridinyl]methyl acetate
SMILESCCCCS(=O)(=O)Nc1ccc(COC(C)=O)nc1
InChIInChI=1S/C12H18N2O4S/c1-3-4-7-19(16,17)14-11-5-6-12(13-8-11)9-18-10(2)15/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyRYONZCJUTSOWBB-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.69
Rot. Bonds7

About [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate

[5-(butylsulfonylamino)-2-pyridinyl]methyl acetate (PubChem CID 67866029) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-(butylsulfonylamino)-2-pyridinyl]methyl acetate
PubChem CID67866029
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[5-(butylsulfonylamino)-2-pyridinyl]methyl acetate
SMILESCCCCS(=O)(=O)Nc1ccc(COC(C)=O)nc1
InChIInChI=1S/C12H18N2O4S/c1-3-4-7-19(16,17)14-11-5-6-12(13-8-11)9-18-10(2)15/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyRYONZCJUTSOWBB-UHFFFAOYSA-N
XLogP1.69
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate?
The IUPAC name of [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate (CID 67866029) is [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate is CCCCS(=O)(=O)Nc1ccc(COC(C)=O)nc1.
What is the InChIKey of [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate?
The InChIKey is RYONZCJUTSOWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-4-7-19(16,17)14-11-5-6-12(13-8-11)9-18-10(2)15/h5-6,8,14H,3-4,7,9H2,1-2H3.
What are the key properties of [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate?
[5-(butylsulfonylamino)-2-pyridinyl]methyl acetate has a molecular weight of 286.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butylsulfonylamino)-2-pyridinyl]methyl acetate is sourced from PubChem (CID 67866029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).