S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine

C13H27N3S2 — CID 123519516

IUPACS-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine
SMILESNSCCCSN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H27N3S2/c14-17-11-4-12-18-16-9-5-13(6-10-16)15-7-2-1-3-8-15/h13H,1-12,14H2
InChIKeyNSZZLEKZODKTSO-UHFFFAOYSA-N
MW289.51 g/mol
LogP2.58
Rot. Bonds6

About S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine

S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine (PubChem CID 123519516) has the molecular formula C13H27N3S2 and a molecular weight of 289.51 g/mol. Its IUPAC name is S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine
PubChem CID123519516
Molecular FormulaC13H27N3S2
Molecular Weight289.51 g/mol
Exact Mass289.16
IUPAC NameS-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine
SMILESNSCCCSN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H27N3S2/c14-17-11-4-12-18-16-9-5-13(6-10-16)15-7-2-1-3-8-15/h13H,1-12,14H2
InChIKeyNSZZLEKZODKTSO-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]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

4-piperidin-1-yl-1-propylsulfanylpiperidine
CID 123321726
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
1-cyclohexylpiperidine;methane
CID 143122486
4-piperidin-1-yl-1-sulfanylpiperidine
CID 90720397
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611
1-methanidyl-4-pyrrolidin-1-ylpiperidine
CID 20723224

Frequently Asked Questions

What is the IUPAC name of S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine?
The IUPAC name of S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine (CID 123519516) is S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine.
What is the SMILES notation for S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine?
The canonical SMILES for S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine is NSCCCSN1CCC(N2CCCCC2)CC1.
What is the InChIKey of S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine?
The InChIKey is NSZZLEKZODKTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S2/c14-17-11-4-12-18-16-9-5-13(6-10-16)15-7-2-1-3-8-15/h13H,1-12,14H2.
What are the key properties of S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine?
S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine has a molecular weight of 289.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine is sourced from PubChem (CID 123519516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).