N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine

C9H16N4S2 — CID 143498368

IUPACN-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine
SMILESCc1nsc(N2CCC(N(C)S)CC2)n1
InChIInChI=1S/C9H16N4S2/c1-7-10-9(15-11-7)13-5-3-8(4-6-13)12(2)14/h8,14H,3-6H2,1-2H3
InChIKeyNTEDDKVQLKHERL-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.59
Rot. Bonds2

About N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine

N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine (PubChem CID 143498368) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine
PubChem CID143498368
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC NameN-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine
SMILESCc1nsc(N2CCC(N(C)S)CC2)n1
InChIInChI=1S/C9H16N4S2/c1-7-10-9(15-11-7)13-5-3-8(4-6-13)12(2)14/h8,14H,3-6H2,1-2H3
InChIKeyNTEDDKVQLKHERL-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine?
The IUPAC name of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine (CID 143498368) is N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine?
The canonical SMILES for N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine is Cc1nsc(N2CCC(N(C)S)CC2)n1.
What is the InChIKey of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine?
The InChIKey is NTEDDKVQLKHERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-7-10-9(15-11-7)13-5-3-8(4-6-13)12(2)14/h8,14H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine?
N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine has a molecular weight of 244.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine is sourced from PubChem (CID 143498368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).