5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile

C15H21N3O4S — CID 132970004

IUPAC5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCOCCCOC1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-21-9-2-10-22-14-5-7-18(8-6-14)23(19,20)15-4-3-13(11-16)17-12-15/h3-4,12,14H,2,5-10H2,1H3
InChIKeyZVEDDUDSKGVDCZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.16
Rot. Bonds7

About 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile

5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile (PubChem CID 132970004) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
PubChem CID132970004
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCOCCCOC1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-21-9-2-10-22-14-5-7-18(8-6-14)23(19,20)15-4-3-13(11-16)17-12-15/h3-4,12,14H,2,5-10H2,1H3
InChIKeyZVEDDUDSKGVDCZ-UHFFFAOYSA-N
XLogP1.16
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile (CID 132970004) is 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile is COCCCOC1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The InChIKey is ZVEDDUDSKGVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-21-9-2-10-22-14-5-7-18(8-6-14)23(19,20)15-4-3-13(11-16)17-12-15/h3-4,12,14H,2,5-10H2,1H3.
What are the key properties of 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile has a molecular weight of 339.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxypropoxy)piperidin-1-yl]sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 132970004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).