2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine

C8H11N3S — CID 71637184

IUPAC2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
SMILESc1cnc(S[C@H]2CCNC2)cn1
InChIInChI=1S/C8H11N3S/c1-2-9-5-7(1)12-8-6-10-3-4-11-8/h3-4,6-7,9H,1-2,5H2/t7-/m0/s1
InChIKeyUZDBXOXIRXGBNK-ZETCQYMHSA-N
MW181.26 g/mol
LogP0.93
Rot. Bonds2

About 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine

2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine (PubChem CID 71637184) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
PubChem CID71637184
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
SMILESc1cnc(S[C@H]2CCNC2)cn1
InChIInChI=1S/C8H11N3S/c1-2-9-5-7(1)12-8-6-10-3-4-11-8/h3-4,6-7,9H,1-2,5H2/t7-/m0/s1
InChIKeyUZDBXOXIRXGBNK-ZETCQYMHSA-N
XLogP0.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-piperidin-3-yl]sulfanylpyrazine
CID 96641481
2-piperidin-4-ylsulfanylpyrazine
CID 63381886
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
4-pyrrolidin-3-ylsulfanylpyridin-3-amine
CID 62328287
N-methyl-3-pyrazin-2-ylsulfanylcyclopentan-1-amine
CID 64724300
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
CID 71635749
2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride
CID 71637187
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71635748
1-methyl-2-pyrrolidin-3-ylsulfanylimidazole
CID 62328973

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine (CID 71637184) is 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine is c1cnc(S[C@H]2CCNC2)cn1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine?
The InChIKey is UZDBXOXIRXGBNK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-9-5-7(1)12-8-6-10-3-4-11-8/h3-4,6-7,9H,1-2,5H2/t7-/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine?
2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine has a molecular weight of 181.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine is sourced from PubChem (CID 71637184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).