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'}

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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).