N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine

C7H16N2S — CID 142150706

IUPACN-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
SMILESCN1CCC(C)(NS)CC1
InChIInChI=1S/C7H16N2S/c1-7(8-10)3-5-9(2)6-4-7/h8,10H,3-6H2,1-2H3
InChIKeyZODCOPFBAIEEMG-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.91
Rot. Bonds1

About N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine

N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine (PubChem CID 142150706) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
PubChem CID142150706
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
SMILESCN1CCC(C)(NS)CC1
InChIInChI=1S/C7H16N2S/c1-7(8-10)3-5-9(2)6-4-7/h8,10H,3-6H2,1-2H3
InChIKeyZODCOPFBAIEEMG-UHFFFAOYSA-N
XLogP0.91
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methanethiol;1,4,4-trimethylpiperidine
CID 178113124
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
1,4,4,5,5,6,6-heptamethylazocane
CID 154547970
N,3,9-trimethyl-3-azaspiro[5.5]undecan-9-amine
CID 91128574
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
CID 142327060
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
1,4,4,7,7-pentamethylazecane
CID 137411559
S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
CID 143339269
ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane
CID 171817185

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine (CID 142150706) is N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine is CN1CCC(C)(NS)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
The InChIKey is ZODCOPFBAIEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(8-10)3-5-9(2)6-4-7/h8,10H,3-6H2,1-2H3.
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine has a molecular weight of 160.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine is sourced from PubChem (CID 142150706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).