3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine

C17H18Cl2N4S — CID 134401671

IUPAC3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
SMILESC[C@H]1CCC12CN(c1cnc(Sc3cccc(Cl)c3Cl)c(N)n1)C2
InChIInChI=1S/C17H18Cl2N4S/c1-10-5-6-17(10)8-23(9-17)13-7-21-16(15(20)22-13)24-12-4-2-3-11(18)14(12)19/h2-4,7,10H,5-6,8-9H2,1H3,(H2,20,22)/t10-/m0/s1
InChIKeyHVXXCHLQWAJGEQ-JTQLQIEISA-N
MW381.33 g/mol
LogP4.75
Rot. Bonds3

About 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine

3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine (PubChem CID 134401671) has the molecular formula C17H18Cl2N4S and a molecular weight of 381.33 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
PubChem CID134401671
Molecular FormulaC17H18Cl2N4S
Molecular Weight381.33 g/mol
Exact Mass380.06
IUPAC Name3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
SMILESC[C@H]1CCC12CN(c1cnc(Sc3cccc(Cl)c3Cl)c(N)n1)C2
InChIInChI=1S/C17H18Cl2N4S/c1-10-5-6-17(10)8-23(9-17)13-7-21-16(15(20)22-13)24-12-4-2-3-11(18)14(12)19/h2-4,7,10H,5-6,8-9H2,1H3,(H2,20,22)/t10-/m0/s1
InChIKeyHVXXCHLQWAJGEQ-JTQLQIEISA-N
XLogP4.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine (CID 134401671) is 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine is C[C@H]1CCC12CN(c1cnc(Sc3cccc(Cl)c3Cl)c(N)n1)C2.
What is the InChIKey of 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine?
The InChIKey is HVXXCHLQWAJGEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18Cl2N4S/c1-10-5-6-17(10)8-23(9-17)13-7-21-16(15(20)22-13)24-12-4-2-3-11(18)14(12)19/h2-4,7,10H,5-6,8-9H2,1H3,(H2,20,22)/t10-/m0/s1.
What are the key properties of 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine?
3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine has a molecular weight of 381.33 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine is sourced from PubChem (CID 134401671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).