4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine

C11H22N2S — CID 82759677

IUPAC4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
SMILESCSC1CNCC1N1CCC(C)CC1
InChIInChI=1S/C11H22N2S/c1-9-3-5-13(6-4-9)10-7-12-8-11(10)14-2/h9-12H,3-8H2,1-2H3
InChIKeyTVWXIYDFSLPVKP-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds2

About 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine

4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine (PubChem CID 82759677) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
PubChem CID82759677
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
SMILESCSC1CNCC1N1CCC(C)CC1
InChIInChI=1S/C11H22N2S/c1-9-3-5-13(6-4-9)10-7-12-8-11(10)14-2/h9-12H,3-8H2,1-2H3
InChIKeyTVWXIYDFSLPVKP-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The IUPAC name of 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine (CID 82759677) is 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine is CSC1CNCC1N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The InChIKey is TVWXIYDFSLPVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-3-5-13(6-4-9)10-7-12-8-11(10)14-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 82759677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).