(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine

C7H15NOS2 — CID 170053124

IUPAC(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine
SMILESCN1CCCC[C@@H]1COSS
InChIInChI=1S/C7H15NOS2/c1-8-5-3-2-4-7(8)6-9-11-10/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyQKKJELMLEYVSDL-SSDOTTSWSA-N
MW193.34 g/mol
LogP1.98
Rot. Bonds3

About (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine

(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine (PubChem CID 170053124) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Name(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine
PubChem CID170053124
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine
SMILESCN1CCCC[C@@H]1COSS
InChIInChI=1S/C7H15NOS2/c1-8-5-3-2-4-7(8)6-9-11-10/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyQKKJELMLEYVSDL-SSDOTTSWSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
CID 71057563
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine?
The IUPAC name of (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine (CID 170053124) is (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine.
What is the SMILES notation for (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine?
The canonical SMILES for (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine is CN1CCCC[C@@H]1COSS.
What is the InChIKey of (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine?
The InChIKey is QKKJELMLEYVSDL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-8-5-3-2-4-7(8)6-9-11-10/h7,10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine?
(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine has a molecular weight of 193.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(disulfanyloxymethyl)-1-methylpiperidine is sourced from PubChem (CID 170053124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).