methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane

C7H15NS2 — CID 123646391

IUPACmethyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane
SMILESCN1CCCC(S(C)=S)C1
InChIInChI=1S/C7H15NS2/c1-8-5-3-4-7(6-8)10(2)9/h7H,3-6H2,1-2H3
InChIKeyHUBFSTNDMRBLMA-UHFFFAOYSA-N
MW177.34 g/mol
LogP0.79
Rot. Bonds1

About methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane

methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane (PubChem CID 123646391) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane
PubChem CID123646391
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Namemethyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane
SMILESCN1CCCC(S(C)=S)C1
InChIInChI=1S/C7H15NS2/c1-8-5-3-4-7(6-8)10(2)9/h7H,3-6H2,1-2H3
InChIKeyHUBFSTNDMRBLMA-UHFFFAOYSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-methylpiperidine-3-sulfinamide
CID 115012787
3-ethylsulfinyl-1-methylpiperidine
CID 72744178
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
3-iodo-1-methylpiperidine
CID 66569181
1,3,4-trimethylazepane
CID 59081993
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
1-(1-methylpiperidin-3-yl)ethenamine
CID 58035148
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347

Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane (CID 123646391) is methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane is CN1CCCC(S(C)=S)C1.
What is the InChIKey of methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane?
The InChIKey is HUBFSTNDMRBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-8-5-3-4-7(6-8)10(2)9/h7H,3-6H2,1-2H3.
What are the key properties of methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane?
methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane has a molecular weight of 177.34 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylpiperidin-3-yl)-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 123646391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).