3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine

C12H18N2O2S — CID 97165999

IUPAC3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
SMILESO=S(=O)(Cc1cccnc1)C[C@@H]1CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-11-3-1-5-13-7-11)10-12-4-2-6-14-8-12/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-/m1/s1
InChIKeyAETIDXHGGNZPBC-GFCCVEGCSA-N
MW254.35 g/mol
LogP1.00
Rot. Bonds4

About 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine

3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine (PubChem CID 97165999) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
PubChem CID97165999
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
SMILESO=S(=O)(Cc1cccnc1)C[C@@H]1CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-11-3-1-5-13-7-11)10-12-4-2-6-14-8-12/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-/m1/s1
InChIKeyAETIDXHGGNZPBC-GFCCVEGCSA-N
XLogP1.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
The IUPAC name of 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine (CID 97165999) is 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine.
What is the SMILES notation for 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
The canonical SMILES for 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine is O=S(=O)(Cc1cccnc1)C[C@@H]1CCCNC1.
What is the InChIKey of 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
The InChIKey is AETIDXHGGNZPBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-17(16,9-11-3-1-5-13-7-11)10-12-4-2-6-14-8-12/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-/m1/s1.
What are the key properties of 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine?
3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine has a molecular weight of 254.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine is sourced from PubChem (CID 97165999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).