(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine

C11H19N3S — CID 172566726

IUPAC(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine
SMILES[H]/N=C(C1=CCCN(C)C1)\C(CCC)=N/S
InChIInChI=1S/C11H19N3S/c1-3-5-10(13-15)11(12)9-6-4-7-14(2)8-9/h6,12,15H,3-5,7-8H2,1-2H3/b12-11-,13-10-
InChIKeyVYDAQQHGLMWTJN-RBPRBBOISA-N
MW225.36 g/mol
LogP2.35
Rot. Bonds4

About (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine

(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine (PubChem CID 172566726) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine
PubChem CID172566726
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine
SMILES[H]/N=C(C1=CCCN(C)C1)\C(CCC)=N/S
InChIInChI=1S/C11H19N3S/c1-3-5-10(13-15)11(12)9-6-4-7-14(2)8-9/h6,12,15H,3-5,7-8H2,1-2H3/b12-11-,13-10-
InChIKeyVYDAQQHGLMWTJN-RBPRBBOISA-N
XLogP2.35
TPSA39.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentylidene]hydroxylamine
CID 15598787
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentylidene]hydroxylamine
CID 85546314
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine
CID 156544458
2,2,5-Trimethyl-1,3,4,8-tetrahydroisoquinolin-2-ium-7-imine
CID 163419716
ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine
CID 166085231
ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
CID 171523504
heptane;(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine
CID 172566725
(NZ)-N-[1-(1-ethyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-2-iminononylidene]thiohydroxylamine
CID 172566862
1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)propane-1,2-diimine;ethane;heptane;undec-1-ene
CID 172567503

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine?
The IUPAC name of (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine (CID 172566726) is (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine.
What is the SMILES notation for (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine?
The canonical SMILES for (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine is [H]/N=C(C1=CCCN(C)C1)\C(CCC)=N/S.
What is the InChIKey of (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine?
The InChIKey is VYDAQQHGLMWTJN-RBPRBBOISA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-5-10(13-15)11(12)9-6-4-7-14(2)8-9/h6,12,15H,3-5,7-8H2,1-2H3/b12-11-,13-10-.
What are the key properties of (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine?
(NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine has a molecular weight of 225.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-imino-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-2-ylidene]thiohydroxylamine is sourced from PubChem (CID 172566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).