N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine

C18H20Cl2N4S — CID 134183059

IUPACN-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine
SMILESCc1nc(NC2CCC3(CNC3)C2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4S/c1-11-17(25-14-4-2-3-13(19)16(14)20)22-8-15(23-11)24-12-5-6-18(7-12)9-21-10-18/h2-4,8,12,21H,5-7,9-10H2,1H3,(H,23,24)
InChIKeyDEZBSRCXCKGJRI-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.80
Rot. Bonds4

About N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine

N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine (PubChem CID 134183059) has the molecular formula C18H20Cl2N4S and a molecular weight of 395.36 g/mol. Its IUPAC name is N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

Compound NameN-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine
PubChem CID134183059
Molecular FormulaC18H20Cl2N4S
Molecular Weight395.36 g/mol
Exact Mass394.08
IUPAC NameN-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine
SMILESCc1nc(NC2CCC3(CNC3)C2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4S/c1-11-17(25-14-4-2-3-13(19)16(14)20)22-8-15(23-11)24-12-5-6-18(7-12)9-21-10-18/h2-4,8,12,21H,5-7,9-10H2,1H3,(H,23,24)
InChIKeyDEZBSRCXCKGJRI-UHFFFAOYSA-N
XLogP4.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine
CID 147408586
5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
CID 134183060
N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine
CID 134182967
5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol
CID 134183003
1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-1,4-diazepane
CID 134182790
3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 161252551
(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
CID 118247967
3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
CID 134401671
6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
CID 118238335
tert-butyl N-[1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]-N-methylcarbamate
CID 134183133
(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.5]nonan-3-amine
CID 126480853
(4R)-8-[6-(aminomethyl)-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182847

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine?
The IUPAC name of N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine (CID 134183059) is N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine.
What is the SMILES notation for N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine?
The canonical SMILES for N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine is Cc1nc(NC2CCC3(CNC3)C2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine?
The InChIKey is DEZBSRCXCKGJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4S/c1-11-17(25-14-4-2-3-13(19)16(14)20)22-8-15(23-11)24-12-5-6-18(7-12)9-21-10-18/h2-4,8,12,21H,5-7,9-10H2,1H3,(H,23,24).
What are the key properties of N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine?
N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine has a molecular weight of 395.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 134183059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).