4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine

C10H14N2OS — CID 97166103

IUPAC4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
SMILESO=[S@](c1ccncc1)[C@@H]1CCCNC1
InChIInChI=1S/C10H14N2OS/c13-14(9-3-6-11-7-4-9)10-2-1-5-12-8-10/h3-4,6-7,10,12H,1-2,5,8H2/t10-,14-/m1/s1
InChIKeyFRMSITXZPHAAFP-QMTHXVAHSA-N
MW210.30 g/mol
LogP0.94
Rot. Bonds2

About 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine

4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine (PubChem CID 97166103) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine.

Molecular Properties

Compound Name4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
PubChem CID97166103
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
SMILESO=[S@](c1ccncc1)[C@@H]1CCCNC1
InChIInChI=1S/C10H14N2OS/c13-14(9-3-6-11-7-4-9)10-2-1-5-12-8-10/h3-4,6-7,10,12H,1-2,5,8H2/t10-,14-/m1/s1
InChIKeyFRMSITXZPHAAFP-QMTHXVAHSA-N
XLogP0.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
3-(benzenesulfinyl)pyrrolidine
CID 84666467
4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
CID 97166120
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
CID 71645971
3-nitro-2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97177798
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine?
The IUPAC name of 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine (CID 97166103) is 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine.
What is the SMILES notation for 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine?
The canonical SMILES for 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine is O=[S@](c1ccncc1)[C@@H]1CCCNC1.
What is the InChIKey of 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine?
The InChIKey is FRMSITXZPHAAFP-QMTHXVAHSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-14(9-3-6-11-7-4-9)10-2-1-5-12-8-10/h3-4,6-7,10,12H,1-2,5,8H2/t10-,14-/m1/s1.
What are the key properties of 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine?
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine has a molecular weight of 210.30 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine is sourced from PubChem (CID 97166103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).