5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide

C15H22N4S — CID 115488674

IUPAC5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
SMILESCN1C2CCCC1CC(Nc1ccc(C(N)=S)nc1)C2
InChIInChI=1S/C15H22N4S/c1-19-12-3-2-4-13(19)8-11(7-12)18-10-5-6-14(15(16)20)17-9-10/h5-6,9,11-13,18H,2-4,7-8H2,1H3,(H2,16,20)
InChIKeyABYHYPHCSWTDQC-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.14
Rot. Bonds3

About 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide

5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide (PubChem CID 115488674) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
PubChem CID115488674
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
SMILESCN1C2CCCC1CC(Nc1ccc(C(N)=S)nc1)C2
InChIInChI=1S/C15H22N4S/c1-19-12-3-2-4-13(19)8-11(7-12)18-10-5-6-14(15(16)20)17-9-10/h5-6,9,11-13,18H,2-4,7-8H2,1H3,(H2,16,20)
InChIKeyABYHYPHCSWTDQC-UHFFFAOYSA-N
XLogP2.14
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 115488665
5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
CID 115488600
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
4-methyl-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65472351
2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine
CID 43697425
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65471399
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 19097464
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
CID 104535034
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)pyridine-2-carbothioamide
CID 115488702

Frequently Asked Questions

What is the IUPAC name of 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide (CID 115488674) is 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide is CN1C2CCCC1CC(Nc1ccc(C(N)=S)nc1)C2.
What is the InChIKey of 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide?
The InChIKey is ABYHYPHCSWTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-19-12-3-2-4-13(19)8-11(7-12)18-10-5-6-14(15(16)20)17-9-10/h5-6,9,11-13,18H,2-4,7-8H2,1H3,(H2,16,20).
What are the key properties of 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide?
5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide has a molecular weight of 290.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).