3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine

C16H18N2O2S — CID 3155736

IUPAC3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCCCC1c1cccnc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,15-8-2-1-3-9-15)18-12-5-4-10-16(18)14-7-6-11-17-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2
InChIKeyBQRRAEOFJQVQEO-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.00
Rot. Bonds3

About 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine

3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine (PubChem CID 3155736) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine
PubChem CID3155736
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCCCC1c1cccnc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,15-8-2-1-3-9-15)18-12-5-4-10-16(18)14-7-6-11-17-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2
InChIKeyBQRRAEOFJQVQEO-UHFFFAOYSA-N
XLogP3.00
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine (CID 3155736) is 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine is O=S(=O)(c1ccccc1)N1CCCCC1c1cccnc1.
What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine?
The InChIKey is BQRRAEOFJQVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-21(20,15-8-2-1-3-9-15)18-12-5-4-10-16(18)14-7-6-11-17-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2.
What are the key properties of 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine?
3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine has a molecular weight of 302.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 3155736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).