2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide

C17H23N7S — CID 144893559

IUPAC2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide
SMILESNN/N=C(\N)c1c(SN)cccc1-c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H23N7S/c18-17(22-23-19)16-13(5-4-6-14(16)25-20)12-7-8-15(21-11-12)24-9-2-1-3-10-24/h4-8,11,23H,1-3,9-10,19-20H2,(H2,18,22)
InChIKeyIBCLITSIWKFTBZ-UHFFFAOYSA-N
MW357.49 g/mol
LogP1.79
Rot. Bonds5

About 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide

2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide (PubChem CID 144893559) has the molecular formula C17H23N7S and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide
PubChem CID144893559
Molecular FormulaC17H23N7S
Molecular Weight357.49 g/mol
Exact Mass357.17
IUPAC Name2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide
SMILESNN/N=C(\N)c1c(SN)cccc1-c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H23N7S/c18-17(22-23-19)16-13(5-4-6-14(16)25-20)12-7-8-15(21-11-12)24-9-2-1-3-10-24/h4-8,11,23H,1-3,9-10,19-20H2,(H2,18,22)
InChIKeyIBCLITSIWKFTBZ-UHFFFAOYSA-N
XLogP1.79
TPSA118.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

Analyze 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide with MolForge

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Related Compounds

N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-dihydroindol-2-one
CID 154768125
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 95097436
4-[5-(6-piperidin-1-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzoic acid;hydrochloride
CID 70055756
N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
CID 58006589
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(azepan-1-yl)-3-pyridinyl]benzamide
CID 87199955

Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide?
The IUPAC name of 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide (CID 144893559) is 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide.
What is the SMILES notation for 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide?
The canonical SMILES for 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide is NN/N=C(\N)c1c(SN)cccc1-c1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide?
The InChIKey is IBCLITSIWKFTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7S/c18-17(22-23-19)16-13(5-4-6-14(16)25-20)12-7-8-15(21-11-12)24-9-2-1-3-10-24/h4-8,11,23H,1-3,9-10,19-20H2,(H2,18,22).
What are the key properties of 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide?
2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide has a molecular weight of 357.49 g/mol, XLogP of 1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanyl-N'-hydrazinyl-6-(6-piperidin-1-yl-3-pyridinyl)benzenecarboximidamide is sourced from PubChem (CID 144893559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).