5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine

C19H21Cl2N3S — CID 147408586

IUPAC5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine
SMILESCc1nc(NC2CCC3(CCC3)C2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N3S/c1-12-18(25-15-5-2-4-14(20)17(15)21)22-11-16(23-12)24-13-6-9-19(10-13)7-3-8-19/h2,4-5,11,13H,3,6-10H2,1H3,(H,23,24)
InChIKeyDQDVZUTVADGDJI-UHFFFAOYSA-N
MW394.37 g/mol
LogP6.38
Rot. Bonds4

About 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine

5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine (PubChem CID 147408586) has the molecular formula C19H21Cl2N3S and a molecular weight of 394.37 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine
PubChem CID147408586
Molecular FormulaC19H21Cl2N3S
Molecular Weight394.37 g/mol
Exact Mass393.08
IUPAC Name5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine
SMILESCc1nc(NC2CCC3(CCC3)C2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N3S/c1-12-18(25-15-5-2-4-14(20)17(15)21)22-11-16(23-12)24-13-6-9-19(10-13)7-3-8-19/h2,4-5,11,13H,3,6-10H2,1H3,(H,23,24)
InChIKeyDQDVZUTVADGDJI-UHFFFAOYSA-N
XLogP6.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-2-azaspiro[3.4]octan-6-amine
CID 134183059
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
4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide
CID 134182976
1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-1,4-diazepane
CID 134182790
5-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]pyrrolidin-3-ol
CID 134183003
3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 161252551
1-[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazin-2-yl]ethane-1,2-diol
CID 145442807
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
(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
CID 118247967

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine (CID 147408586) is 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine is Cc1nc(NC2CCC3(CCC3)C2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine?
The InChIKey is DQDVZUTVADGDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3S/c1-12-18(25-15-5-2-4-14(20)17(15)21)22-11-16(23-12)24-13-6-9-19(10-13)7-3-8-19/h2,4-5,11,13H,3,6-10H2,1H3,(H,23,24).
What are the key properties of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine?
5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine has a molecular weight of 394.37 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine is sourced from PubChem (CID 147408586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).