N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine

C7H16N2S — CID 130458996

IUPACN-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
SMILESCN(S)CC1CCNCC1
InChIInChI=1S/C7H16N2S/c1-9(10)6-7-2-4-8-5-3-7/h7-8,10H,2-6H2,1H3
InChIKeyKPCMAGOUWQRMPE-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.76
Rot. Bonds2

About N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine

N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine (PubChem CID 130458996) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
PubChem CID130458996
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
SMILESCN(S)CC1CCNCC1
InChIInChI=1S/C7H16N2S/c1-9(10)6-7-2-4-8-5-3-7/h7-8,10H,2-6H2,1H3
InChIKeyKPCMAGOUWQRMPE-UHFFFAOYSA-N
XLogP0.76
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
1-cyclobutyl-N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)methanamine
CID 120858205
N,2-dimethyl-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 79707694
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine (CID 130458996) is N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine is CN(S)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine?
The InChIKey is KPCMAGOUWQRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-9(10)6-7-2-4-8-5-3-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine?
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine has a molecular weight of 160.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine is sourced from PubChem (CID 130458996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).