4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine

C14H28N2S — CID 82760659

IUPAC4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
SMILESCCC1(CC)CCN(C2CNCC2SC)CC1
InChIInChI=1S/C14H28N2S/c1-4-14(5-2)6-8-16(9-7-14)12-10-15-11-13(12)17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyLNYKGLLSZVCFKM-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds4

About 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine

4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine (PubChem CID 82760659) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
PubChem CID82760659
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
SMILESCCC1(CC)CCN(C2CNCC2SC)CC1
InChIInChI=1S/C14H28N2S/c1-4-14(5-2)6-8-16(9-7-14)12-10-15-11-13(12)17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyLNYKGLLSZVCFKM-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The IUPAC name of 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine (CID 82760659) is 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine is CCC1(CC)CCN(C2CNCC2SC)CC1.
What is the InChIKey of 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The InChIKey is LNYKGLLSZVCFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-14(5-2)6-8-16(9-7-14)12-10-15-11-13(12)17-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 82760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).