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

C7H16N2S — CID 143339269

IUPACS-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
SMILESCN1CCC(C)(SN)CC1
InChIInChI=1S/C7H16N2S/c1-7(10-8)3-5-9(2)6-4-7/h3-6,8H2,1-2H3
InChIKeyMIELKMLJLKGXRS-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.08
Rot. Bonds1

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

S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine (PubChem CID 143339269) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
PubChem CID143339269
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameS-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
SMILESCN1CCC(C)(SN)CC1
InChIInChI=1S/C7H16N2S/c1-7(10-8)3-5-9(2)6-4-7/h3-6,8H2,1-2H3
InChIKeyMIELKMLJLKGXRS-UHFFFAOYSA-N
XLogP1.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
The IUPAC name of S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine (CID 143339269) is S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine.
What is the SMILES notation for S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
The canonical SMILES for S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine is CN1CCC(C)(SN)CC1.
What is the InChIKey of S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
The InChIKey is MIELKMLJLKGXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(10-8)3-5-9(2)6-4-7/h3-6,8H2,1-2H3.
What are the key properties of S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine?
S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine has a molecular weight of 160.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine is sourced from PubChem (CID 143339269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).