2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride

C9H13ClN2OS — CID 71645428

IUPAC2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
SMILESCl.O=S(c1ccccn1)[C@@H]1CCNC1
InChIInChI=1S/C9H12N2OS.ClH/c12-13(8-4-6-10-7-8)9-3-1-2-5-11-9;/h1-3,5,8,10H,4,6-7H2;1H/t8-,13?;/m1./s1
InChIKeyXUGGUKDJKUIJIR-NGBPQLLPSA-N
MW232.74 g/mol
LogP0.97
Rot. Bonds2

About 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride

2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride (PubChem CID 71645428) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
PubChem CID71645428
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
SMILESCl.O=S(c1ccccn1)[C@@H]1CCNC1
InChIInChI=1S/C9H12N2OS.ClH/c12-13(8-4-6-10-7-8)9-3-1-2-5-11-9;/h1-3,5,8,10H,4,6-7H2;1H/t8-,13?;/m1./s1
InChIKeyXUGGUKDJKUIJIR-NGBPQLLPSA-N
XLogP0.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
3-(benzenesulfinyl)pyrrolidine
CID 84666467
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
CID 170987698
3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
CID 170987729
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride?
The IUPAC name of 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride (CID 71645428) is 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride.
What is the SMILES notation for 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride?
The canonical SMILES for 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride is Cl.O=S(c1ccccn1)[C@@H]1CCNC1.
What is the InChIKey of 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride?
The InChIKey is XUGGUKDJKUIJIR-NGBPQLLPSA-N. The full InChI is InChI=1S/C9H12N2OS.ClH/c12-13(8-4-6-10-7-8)9-3-1-2-5-11-9;/h1-3,5,8,10H,4,6-7H2;1H/t8-,13?;/m1./s1.
What are the key properties of 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride?
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride has a molecular weight of 232.74 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride is sourced from PubChem (CID 71645428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).