2-[(3R)-piperidin-3-yl]sulfanylpyrazine

C9H13N3S — CID 96641481

IUPAC2-[(3R)-piperidin-3-yl]sulfanylpyrazine
SMILESc1cnc(S[C@@H]2CCCNC2)cn1
InChIInChI=1S/C9H13N3S/c1-2-8(6-10-3-1)13-9-7-11-4-5-12-9/h4-5,7-8,10H,1-3,6H2/t8-/m1/s1
InChIKeyIGDYAPKFSRFDHW-MRVPVSSYSA-N
MW195.29 g/mol
LogP1.32
Rot. Bonds2

About 2-[(3R)-piperidin-3-yl]sulfanylpyrazine

2-[(3R)-piperidin-3-yl]sulfanylpyrazine (PubChem CID 96641481) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-[(3R)-piperidin-3-yl]sulfanylpyrazine.

Molecular Properties

Compound Name2-[(3R)-piperidin-3-yl]sulfanylpyrazine
PubChem CID96641481
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-[(3R)-piperidin-3-yl]sulfanylpyrazine
SMILESc1cnc(S[C@@H]2CCCNC2)cn1
InChIInChI=1S/C9H13N3S/c1-2-8(6-10-3-1)13-9-7-11-4-5-12-9/h4-5,7-8,10H,1-3,6H2/t8-/m1/s1
InChIKeyIGDYAPKFSRFDHW-MRVPVSSYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-piperidin-3-yl]sulfanylpyrazine?
The IUPAC name of 2-[(3R)-piperidin-3-yl]sulfanylpyrazine (CID 96641481) is 2-[(3R)-piperidin-3-yl]sulfanylpyrazine.
What is the SMILES notation for 2-[(3R)-piperidin-3-yl]sulfanylpyrazine?
The canonical SMILES for 2-[(3R)-piperidin-3-yl]sulfanylpyrazine is c1cnc(S[C@@H]2CCCNC2)cn1.
What is the InChIKey of 2-[(3R)-piperidin-3-yl]sulfanylpyrazine?
The InChIKey is IGDYAPKFSRFDHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-8(6-10-3-1)13-9-7-11-4-5-12-9/h4-5,7-8,10H,1-3,6H2/t8-/m1/s1.
What are the key properties of 2-[(3R)-piperidin-3-yl]sulfanylpyrazine?
2-[(3R)-piperidin-3-yl]sulfanylpyrazine has a molecular weight of 195.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-piperidin-3-yl]sulfanylpyrazine is sourced from PubChem (CID 96641481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).