2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine

C10H15N3OS — CID 71643459

IUPAC2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine
SMILESCSc1nccnc1CO[C@H]1CCNC1
InChIInChI=1S/C10H15N3OS/c1-15-10-9(12-4-5-13-10)7-14-8-2-3-11-6-8/h4-5,8,11H,2-3,6-7H2,1H3/t8-/m0/s1
InChIKeyYEFGOWTTXUZABK-QMMMGPOBSA-N
MW225.32 g/mol
LogP1.08
Rot. Bonds4

About 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine

2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine (PubChem CID 71643459) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine.

Molecular Properties

Compound Name2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine
PubChem CID71643459
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine
SMILESCSc1nccnc1CO[C@H]1CCNC1
InChIInChI=1S/C10H15N3OS/c1-15-10-9(12-4-5-13-10)7-14-8-2-3-11-6-8/h4-5,8,11H,2-3,6-7H2,1H3/t8-/m0/s1
InChIKeyYEFGOWTTXUZABK-QMMMGPOBSA-N
XLogP1.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine?
The IUPAC name of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine (CID 71643459) is 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine.
What is the SMILES notation for 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine?
The canonical SMILES for 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine is CSc1nccnc1CO[C@H]1CCNC1.
What is the InChIKey of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine?
The InChIKey is YEFGOWTTXUZABK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-10-9(12-4-5-13-10)7-14-8-2-3-11-6-8/h4-5,8,11H,2-3,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine?
2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine has a molecular weight of 225.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine is sourced from PubChem (CID 71643459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).