pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine

C14H19N3O2S — CID 174966978

IUPACpyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc[nH]1)C1CCNCC1.c1ccncc1
InChIInChI=1S/C9H14N2O2S.C5H5N/c12-14(13,9-2-1-5-11-9)8-3-6-10-7-4-8;1-2-4-6-5-3-1/h1-2,5,8,10-11H,3-4,6-7H2;1-5H
InChIKeyGCEASZDNZFNZOH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.62
Rot. Bonds2

About pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine

pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine (PubChem CID 174966978) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine.

Molecular Properties

Compound Namepyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine
PubChem CID174966978
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Namepyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc[nH]1)C1CCNCC1.c1ccncc1
InChIInChI=1S/C9H14N2O2S.C5H5N/c12-14(13,9-2-1-5-11-9)8-3-6-10-7-4-8;1-2-4-6-5-3-1/h1-2,5,8,10-11H,3-4,6-7H2;1-5H
InChIKeyGCEASZDNZFNZOH-UHFFFAOYSA-N
XLogP1.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine?
The IUPAC name of pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine (CID 174966978) is pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine.
What is the SMILES notation for pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine?
The canonical SMILES for pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine is O=S(=O)(c1ccc[nH]1)C1CCNCC1.c1ccncc1.
What is the InChIKey of pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine?
The InChIKey is GCEASZDNZFNZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.C5H5N/c12-14(13,9-2-1-5-11-9)8-3-6-10-7-4-8;1-2-4-6-5-3-1/h1-2,5,8,10-11H,3-4,6-7H2;1-5H.
What are the key properties of pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine?
pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine has a molecular weight of 293.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine is sourced from PubChem (CID 174966978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).