8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine

C18H21Cl2N5O2S — CID 118247736

IUPAC8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CC2)C(N)CCS3(=O)=O)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O2S/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-7-5-18(6-8-25)13(21)4-9-28(18,26)27/h1-3,10,13H,4-9,21H2,(H2,22,24)
InChIKeyMNLKLXUJEYVLFR-UHFFFAOYSA-N
MW442.37 g/mol
LogP2.52
Rot. Bonds2

About 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine

8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247736) has the molecular formula C18H21Cl2N5O2S and a molecular weight of 442.37 g/mol. Its IUPAC name is 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
PubChem CID118247736
Molecular FormulaC18H21Cl2N5O2S
Molecular Weight442.37 g/mol
Exact Mass441.08
IUPAC Name8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CC2)C(N)CCS3(=O)=O)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O2S/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-7-5-18(6-8-25)13(21)4-9-28(18,26)27/h1-3,10,13H,4-9,21H2,(H2,22,24)
InChIKeyMNLKLXUJEYVLFR-UHFFFAOYSA-N
XLogP2.52
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
(1R,2S)-6-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-6-azatricyclo[3.3.0.01,4]octan-2-amine
CID 135294431
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118249470
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
3-(2,3-dichlorophenyl)-6-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-amine;methane
CID 142543281
3-bromo-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine
CID 157262934
6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 138466405
(1R)-1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-chloro-3-(2,3-dichlorophenyl)pyrazin-2-amine;methyl thiohypofluorite;spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;sulfane
CID 167646399
1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide
CID 175945624

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine (CID 118247736) is 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine is Nc1nc(N2CCC3(CC2)C(N)CCS3(=O)=O)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine?
The InChIKey is MNLKLXUJEYVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O2S/c19-12-3-1-2-11(15(12)20)16-17(22)24-14(10-23-16)25-7-5-18(6-8-25)13(21)4-9-28(18,26)27/h1-3,10,13H,4-9,21H2,(H2,22,24).
What are the key properties of 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine?
8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine has a molecular weight of 442.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).