3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine

C17H23ClN6S — CID 118248948

IUPAC3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H23ClN6S/c1-17(10-19)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(20)14(12)18/h2-4,9H,5-8,10,19-20H2,1H3,(H2,21,23)
InChIKeySLPYAFYUJAPVEZ-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.01
Rot. Bonds4

About 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine

3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine (PubChem CID 118248948) has the molecular formula C17H23ClN6S and a molecular weight of 378.93 g/mol. Its IUPAC name is 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
PubChem CID118248948
Molecular FormulaC17H23ClN6S
Molecular Weight378.93 g/mol
Exact Mass378.14
IUPAC Name3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H23ClN6S/c1-17(10-19)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(20)14(12)18/h2-4,9H,5-8,10,19-20H2,1H3,(H2,21,23)
InChIKeySLPYAFYUJAPVEZ-UHFFFAOYSA-N
XLogP3.01
TPSA107.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine (CID 118248948) is 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The InChIKey is SLPYAFYUJAPVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6S/c1-17(10-19)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(20)14(12)18/h2-4,9H,5-8,10,19-20H2,1H3,(H2,21,23).
What are the key properties of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine has a molecular weight of 378.93 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 118248948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).