3-(methylsulfanylmethyl)piperidine

C7H15NS — CID 22276228

IUPAC3-(methylsulfanylmethyl)piperidine
SMILESCSCC1CCCNC1
InChIInChI=1S/C7H15NS/c1-9-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3
InChIKeyXFEURNJWWUGWNL-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.35
Rot. Bonds2

About 3-(methylsulfanylmethyl)piperidine

3-(methylsulfanylmethyl)piperidine (PubChem CID 22276228) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)piperidine
PubChem CID22276228
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-(methylsulfanylmethyl)piperidine
SMILESCSCC1CCCNC1
InChIInChI=1S/C7H15NS/c1-9-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3
InChIKeyXFEURNJWWUGWNL-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
3-(2,2-dimethylpropylsulfanylmethyl)piperidine
CID 115070779
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
3-(2,2-dimethylpropyl)piperidine
CID 21041533
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
CID 63120213

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)piperidine?
The IUPAC name of 3-(methylsulfanylmethyl)piperidine (CID 22276228) is 3-(methylsulfanylmethyl)piperidine.
What is the SMILES notation for 3-(methylsulfanylmethyl)piperidine?
The canonical SMILES for 3-(methylsulfanylmethyl)piperidine is CSCC1CCCNC1.
What is the InChIKey of 3-(methylsulfanylmethyl)piperidine?
The InChIKey is XFEURNJWWUGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-9-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)piperidine?
3-(methylsulfanylmethyl)piperidine has a molecular weight of 145.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)piperidine is sourced from PubChem (CID 22276228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).