3-(1-methylsulfanylethyl)piperidine

C8H17NS — CID 130224069

IUPAC3-(1-methylsulfanylethyl)piperidine
SMILESCSC(C)C1CCCNC1
InChIInChI=1S/C8H17NS/c1-7(10-2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyNTRZPUBAZACHKT-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds2

About 3-(1-methylsulfanylethyl)piperidine

3-(1-methylsulfanylethyl)piperidine (PubChem CID 130224069) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(1-methylsulfanylethyl)piperidine.

Molecular Properties

Compound Name3-(1-methylsulfanylethyl)piperidine
PubChem CID130224069
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(1-methylsulfanylethyl)piperidine
SMILESCSC(C)C1CCCNC1
InChIInChI=1S/C8H17NS/c1-7(10-2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyNTRZPUBAZACHKT-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfanylethyl)piperidine?
The IUPAC name of 3-(1-methylsulfanylethyl)piperidine (CID 130224069) is 3-(1-methylsulfanylethyl)piperidine.
What is the SMILES notation for 3-(1-methylsulfanylethyl)piperidine?
The canonical SMILES for 3-(1-methylsulfanylethyl)piperidine is CSC(C)C1CCCNC1.
What is the InChIKey of 3-(1-methylsulfanylethyl)piperidine?
The InChIKey is NTRZPUBAZACHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(10-2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(1-methylsulfanylethyl)piperidine?
3-(1-methylsulfanylethyl)piperidine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfanylethyl)piperidine is sourced from PubChem (CID 130224069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).