N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine

C10H18N4S — CID 155737799

IUPACN-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
SMILESCN1CCCC(N(S)c2cnn(C)c2)C1
InChIInChI=1S/C10H18N4S/c1-12-5-3-4-9(7-12)14(15)10-6-11-13(2)8-10/h6,8-9,15H,3-5,7H2,1-2H3
InChIKeyTVGPNIVBIWEANS-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.17
Rot. Bonds2

About N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine

N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine (PubChem CID 155737799) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
PubChem CID155737799
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
SMILESCN1CCCC(N(S)c2cnn(C)c2)C1
InChIInChI=1S/C10H18N4S/c1-12-5-3-4-9(7-12)14(15)10-6-11-13(2)8-10/h6,8-9,15H,3-5,7H2,1-2H3
InChIKeyTVGPNIVBIWEANS-UHFFFAOYSA-N
XLogP1.17
TPSA24.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
CID 155396534
(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
CID 155389382
2-(3,5-dimethylphenyl)-N-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfinamoyl]acetamide
CID 155396509
2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750462
1-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea
CID 155400875
1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175712963
(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
CID 176675609
[2-methyl-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]propan-2-yl]carbamoyl 2,2,2-trifluoroacetate
CID 175108911
1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanyl-3-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]urea
CID 155400722
1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175712998
5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 64623703
1-(2,5-diethylfuran-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175713048

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine (CID 155737799) is N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine is CN1CCCC(N(S)c2cnn(C)c2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine?
The InChIKey is TVGPNIVBIWEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-12-5-3-4-9(7-12)14(15)10-6-11-13(2)8-10/h6,8-9,15H,3-5,7H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine?
N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine has a molecular weight of 226.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine is sourced from PubChem (CID 155737799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).