6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one

C19H23ClN4OS — CID 156711754

IUPAC6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESNc1c(Cl)cccc1Sc1cnc(N2CCC3(CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H23ClN4OS/c20-13-4-3-5-14(16(13)21)26-15-12-22-17(18(25)23-15)24-10-8-19(9-11-24)6-1-2-7-19/h3-5,12H,1-2,6-11,21H2,(H,23,25)
InChIKeyJBIVFTISPVBQFO-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.32
Rot. Bonds3

About 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one

6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (PubChem CID 156711754) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
PubChem CID156711754
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESNc1c(Cl)cccc1Sc1cnc(N2CCC3(CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H23ClN4OS/c20-13-4-3-5-14(16(13)21)26-15-12-22-17(18(25)23-15)24-10-8-19(9-11-24)6-1-2-7-19/h3-5,12H,1-2,6-11,21H2,(H,23,25)
InChIKeyJBIVFTISPVBQFO-UHFFFAOYSA-N
XLogP4.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one with MolForge

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Related Compounds

6-(5-amino-2-chlorophenyl)sulfanyl-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazin-2-one
CID 139509523
6-(3-amino-2-chlorophenyl)sulfanyl-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazin-2-one
CID 139509588
6-(2-amino-3-chlorophenyl)sulfanyl-3-[(2R,4R)-4-amino-2-hydroxy-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 156218790
6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one;ethane
CID 156711753
6-(5-amino-2-chlorophenyl)sulfanyl-3-(4-ethyl-4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 158326486
6-(3-amino-2-chlorophenyl)sulfanyl-3-(4-ethyl-4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 159613402

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The IUPAC name of 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (CID 156711754) is 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is Nc1c(Cl)cccc1Sc1cnc(N2CCC3(CCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The InChIKey is JBIVFTISPVBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c20-13-4-3-5-14(16(13)21)26-15-12-22-17(18(25)23-15)24-10-8-19(9-11-24)6-1-2-7-19/h3-5,12H,1-2,6-11,21H2,(H,23,25).
What are the key properties of 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one has a molecular weight of 390.94 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 156711754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).