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

C10H16ClN3OS — CID 71643458

IUPAC2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
SMILESCSc1nccnc1CO[C@H]1CCNC1.Cl
InChIInChI=1S/C10H15N3OS.ClH/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;1H/t8-;/m0./s1
InChIKeyZDPWXGLQKGTSQJ-QRPNPIFTSA-N
MW261.78 g/mol
LogP1.50
Rot. Bonds4

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

2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride (PubChem CID 71643458) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
PubChem CID71643458
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
SMILESCSc1nccnc1CO[C@H]1CCNC1.Cl
InChIInChI=1S/C10H15N3OS.ClH/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;1H/t8-;/m0./s1
InChIKeyZDPWXGLQKGTSQJ-QRPNPIFTSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.50
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;hydrochloride?
The IUPAC name of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride (CID 71643458) is 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride is CSc1nccnc1CO[C@H]1CCNC1.Cl.
What is the InChIKey of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The InChIKey is ZDPWXGLQKGTSQJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/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;1H/t8-;/m0./s1.
What are the key properties of 2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
2-methylsulfanyl-3-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.50, 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;hydrochloride is sourced from PubChem (CID 71643458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).