5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane

C10H20N2S2 — CID 131223573

IUPAC5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane
SMILESCC1CCC(N2CCSSCC2)CN1
InChIInChI=1S/C10H20N2S2/c1-9-2-3-10(8-11-9)12-4-6-13-14-7-5-12/h9-11H,2-8H2,1H3
InChIKeyCFKGQVCLJCYDBQ-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.82
Rot. Bonds1

About 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane

5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane (PubChem CID 131223573) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane.

Molecular Properties

Compound Name5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane
PubChem CID131223573
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane
SMILESCC1CCC(N2CCSSCC2)CN1
InChIInChI=1S/C10H20N2S2/c1-9-2-3-10(8-11-9)12-4-6-13-14-7-5-12/h9-11H,2-8H2,1H3
InChIKeyCFKGQVCLJCYDBQ-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66393277
2-(6-methylpiperidin-3-yl)-1,3-dihydroisoindole
CID 63155487
4-benzyl-1-(6-methylpiperidin-3-yl)piperidine
CID 63158209
(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
CID 82411749
3-(methoxymethyl)-1-(6-methylpiperidin-3-yl)piperidine
CID 106587151
1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
CID 63158157
5-(2-cyclopentylpyrrolidin-1-yl)-2-methylpiperidine
CID 63155886
(3R,6S)-6-methylpiperidin-3-amine
CID 124581989
2-ethyl-1-(6-methylpiperidin-3-yl)piperidine
CID 63157512
2-ethyl-1-(6-methylpiperidin-3-yl)azepane
CID 104690102
6-methylpiperidin-3-amine;hydrochloride
CID 170782005
2,5-dimethylpiperidine;hydrochloride
CID 55286237

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane?
The IUPAC name of 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane (CID 131223573) is 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane.
What is the SMILES notation for 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane?
The canonical SMILES for 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane is CC1CCC(N2CCSSCC2)CN1.
What is the InChIKey of 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane?
The InChIKey is CFKGQVCLJCYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-9-2-3-10(8-11-9)12-4-6-13-14-7-5-12/h9-11H,2-8H2,1H3.
What are the key properties of 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane?
5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane has a molecular weight of 232.42 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane is sourced from PubChem (CID 131223573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).