N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine

C13H28N2OS — CID 155455395

IUPACN-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine
SMILESCC(C)CN1CCC(COCCCNS)CC1
InChIInChI=1S/C13H28N2OS/c1-12(2)10-15-7-4-13(5-8-15)11-16-9-3-6-14-17/h12-14,17H,3-11H2,1-2H3
InChIKeyOYROTIWQWCNXOK-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.20
Rot. Bonds8

About N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine

N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine (PubChem CID 155455395) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine
PubChem CID155455395
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine
SMILESCC(C)CN1CCC(COCCCNS)CC1
InChIInChI=1S/C13H28N2OS/c1-12(2)10-15-7-4-13(5-8-15)11-16-9-3-6-14-17/h12-14,17H,3-11H2,1-2H3
InChIKeyOYROTIWQWCNXOK-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(Ethoxymethyl)piperidine
CID 17233802
1-[4-(Methoxymethyl)-1-methylpiperidin-4-yl]methanamine
CID 82229668
4-[(2-Methylpropoxy)methyl]piperidine
CID 24692196
4-(Ethoxymethyl)piperidine hydrochloride
CID 17233801
4-[(2-Methylpropoxy)methyl]piperidine hydrochloride
CID 43810754
2-(4-Methoxymethyl-piperidin-1-yl)-ethylamine
CID 63971886
N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
CID 155739455
(2R)-2-fluoro-3-[(1-methylpiperidin-4-yl)methoxy]propan-1-amine
CID 166536767
1-[4-(methoxymethyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 108122414
3-fluoro-3-(methoxymethyl)-N-methyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 165137499
3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine
CID 170951897
{1-[3-(Methyloxy)propyl]-4-piperidinyl}methylamine
CID 12088101

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine?
The IUPAC name of N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine (CID 155455395) is N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine.
What is the SMILES notation for N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine?
The canonical SMILES for N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine is CC(C)CN1CCC(COCCCNS)CC1.
What is the InChIKey of N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine?
The InChIKey is OYROTIWQWCNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-12(2)10-15-7-4-13(5-8-15)11-16-9-3-6-14-17/h12-14,17H,3-11H2,1-2H3.
What are the key properties of N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine?
N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine has a molecular weight of 260.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propyl]thiohydroxylamine is sourced from PubChem (CID 155455395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).