5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine

C10H14N2OS — CID 71638683

IUPAC5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
SMILESCc1ccc(S(=O)[C@@H]2CCNC2)nc1
InChIInChI=1S/C10H14N2OS/c1-8-2-3-10(12-6-8)14(13)9-4-5-11-7-9/h2-3,6,9,11H,4-5,7H2,1H3/t9-,14?/m1/s1
InChIKeyKEOJTWNYMICBGK-UCWRFOARSA-N
MW210.30 g/mol
LogP0.86
Rot. Bonds2

About 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine

5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine (PubChem CID 71638683) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine.

Molecular Properties

Compound Name5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
PubChem CID71638683
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
SMILESCc1ccc(S(=O)[C@@H]2CCNC2)nc1
InChIInChI=1S/C10H14N2OS/c1-8-2-3-10(12-6-8)14(13)9-4-5-11-7-9/h2-3,6,9,11H,4-5,7H2,1H3/t9-,14?/m1/s1
InChIKeyKEOJTWNYMICBGK-UCWRFOARSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
CID 170987729
5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
CID 97162928
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
CID 97163648
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine?
The IUPAC name of 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine (CID 71638683) is 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine.
What is the SMILES notation for 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine?
The canonical SMILES for 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine is Cc1ccc(S(=O)[C@@H]2CCNC2)nc1.
What is the InChIKey of 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine?
The InChIKey is KEOJTWNYMICBGK-UCWRFOARSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-2-3-10(12-6-8)14(13)9-4-5-11-7-9/h2-3,6,9,11H,4-5,7H2,1H3/t9-,14?/m1/s1.
What are the key properties of 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine?
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine has a molecular weight of 210.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine is sourced from PubChem (CID 71638683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).