5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol

C15H15Cl2N3OS — CID 134183003

IUPAC5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol
SMILESCc1nc(C2CC(O)CN2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2N3OS/c1-8-15(22-13-4-2-3-10(16)14(13)17)19-7-12(20-8)11-5-9(21)6-18-11/h2-4,7,9,11,18,21H,5-6H2,1H3
InChIKeyMIPRDULZYVJMJQ-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.64
Rot. Bonds3

About 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol

5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol (PubChem CID 134183003) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol
PubChem CID134183003
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC Name5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol
SMILESCc1nc(C2CC(O)CN2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2N3OS/c1-8-15(22-13-4-2-3-10(16)14(13)17)19-7-12(20-8)11-5-9(21)6-18-11/h2-4,7,9,11,18,21H,5-6H2,1H3
InChIKeyMIPRDULZYVJMJQ-UHFFFAOYSA-N
XLogP3.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol (CID 134183003) is 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol is Cc1nc(C2CC(O)CN2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol?
The InChIKey is MIPRDULZYVJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c1-8-15(22-13-4-2-3-10(16)14(13)17)19-7-12(20-8)11-5-9(21)6-18-11/h2-4,7,9,11,18,21H,5-6H2,1H3.
What are the key properties of 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol?
5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol has a molecular weight of 356.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134183003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).