2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide

C16H20N6S — CID 144893228

IUPAC2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide
SMILESNN/N=C(\N)c1c(SN)cccc1C1CCCc2ncccc21
InChIInChI=1S/C16H20N6S/c17-16(21-22-18)15-12(5-2-8-14(15)23-19)10-4-1-7-13-11(10)6-3-9-20-13/h2-3,5-6,8-10,22H,1,4,7,18-19H2,(H2,17,21)
InChIKeyPGLAQMZPGOAYDC-UHFFFAOYSA-N
MW328.45 g/mol
LogP1.60
Rot. Bonds4

About 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide

2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide (PubChem CID 144893228) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide
PubChem CID144893228
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide
SMILESNN/N=C(\N)c1c(SN)cccc1C1CCCc2ncccc21
InChIInChI=1S/C16H20N6S/c17-16(21-22-18)15-12(5-2-8-14(15)23-19)10-4-1-7-13-11(10)6-3-9-20-13/h2-3,5-6,8-10,22H,1,4,7,18-19H2,(H2,17,21)
InChIKeyPGLAQMZPGOAYDC-UHFFFAOYSA-N
XLogP1.60
TPSA115.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide?
The IUPAC name of 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide (CID 144893228) is 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide.
What is the SMILES notation for 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide?
The canonical SMILES for 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide is NN/N=C(\N)c1c(SN)cccc1C1CCCc2ncccc21.
What is the InChIKey of 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide?
The InChIKey is PGLAQMZPGOAYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c17-16(21-22-18)15-12(5-2-8-14(15)23-19)10-4-1-7-13-11(10)6-3-9-20-13/h2-3,5-6,8-10,22H,1,4,7,18-19H2,(H2,17,21).
What are the key properties of 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide?
2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide has a molecular weight of 328.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanyl-N'-hydrazinyl-6-(5,6,7,8-tetrahydroquinolin-5-yl)benzenecarboximidamide is sourced from PubChem (CID 144893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).