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'}

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Related Compounds

3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one
CID 139509479
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazin-2-one
CID 139509490
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
CID 104834515
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362565
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-1H-pyrazin-2-one
CID 139509493
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362567
3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-[(3-fluoro-1H-indol-4-yl)sulfanyl]-1H-pyrazin-2-one
CID 139509589
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 139509488
5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine
CID 170128235
8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427572
3-(3-amino-2-chlorophenyl)sulfanyl-6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine;2-methylpropane;thiohydroxylamine
CID 144887467
3-(2-amino-3-chlorophenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 104835606

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).