4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride

C10H15ClN2S — CID 71639006

IUPAC4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
SMILESCc1ccnc(S[C@@H]2CCNC2)c1.Cl
InChIInChI=1S/C10H14N2S.ClH/c1-8-2-5-12-10(6-8)13-9-3-4-11-7-9;/h2,5-6,9,11H,3-4,7H2,1H3;1H/t9-;/m1./s1
InChIKeyAYWLOQRJNFDAEP-SBSPUUFOSA-N
MW230.76 g/mol
LogP2.27
Rot. Bonds2

About 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride

4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride (PubChem CID 71639006) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
PubChem CID71639006
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
SMILESCc1ccnc(S[C@@H]2CCNC2)c1.Cl
InChIInChI=1S/C10H14N2S.ClH/c1-8-2-5-12-10(6-8)13-9-3-4-11-7-9;/h2,5-6,9,11H,3-4,7H2,1H3;1H/t9-;/m1./s1
InChIKeyAYWLOQRJNFDAEP-SBSPUUFOSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
CID 71637184
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride?
The IUPAC name of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride (CID 71639006) is 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride.
What is the SMILES notation for 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride?
The canonical SMILES for 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride is Cc1ccnc(S[C@@H]2CCNC2)c1.Cl.
What is the InChIKey of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride?
The InChIKey is AYWLOQRJNFDAEP-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14N2S.ClH/c1-8-2-5-12-10(6-8)13-9-3-4-11-7-9;/h2,5-6,9,11H,3-4,7H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride?
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride has a molecular weight of 230.76 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride is sourced from PubChem (CID 71639006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).