S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine

C8H14N2S — CID 142513145

IUPACS-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine
SMILESC#CCN1CCCC(SN)C1
InChIInChI=1S/C8H14N2S/c1-2-5-10-6-3-4-8(7-10)11-9/h1,8H,3-7,9H2
InChIKeyXGLLXWCPEWDYJU-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.69
Rot. Bonds2

About S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine

S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine (PubChem CID 142513145) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine
PubChem CID142513145
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameS-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine
SMILESC#CCN1CCCC(SN)C1
InChIInChI=1S/C8H14N2S/c1-2-5-10-6-3-4-8(7-10)11-9/h1,8H,3-7,9H2
InChIKeyXGLLXWCPEWDYJU-UHFFFAOYSA-N
XLogP0.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
oxalic acid;1-prop-2-ynylpiperidine
CID 71318911
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
3-prop-2-ynyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314407
3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 130900540
2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
3-propyl-1-prop-2-ynylpyrrolidine
CID 115667587
4-piperidin-1-yl-1-prop-2-ynylpiperidine
CID 51086786
3-prop-2-ynyl-3-azabicyclo[3.2.1]octane
CID 130635468
3-methyl-1-prop-2-ynylpiperazine
CID 64926095

Frequently Asked Questions

What is the IUPAC name of S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine?
The IUPAC name of S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine (CID 142513145) is S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine.
What is the SMILES notation for S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine?
The canonical SMILES for S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine is C#CCN1CCCC(SN)C1.
What is the InChIKey of S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine?
The InChIKey is XGLLXWCPEWDYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-5-10-6-3-4-8(7-10)11-9/h1,8H,3-7,9H2.
What are the key properties of S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine?
S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine has a molecular weight of 170.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine is sourced from PubChem (CID 142513145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).