5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine

C11H23NS — CID 71221062

IUPAC5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine
SMILESCSCC1CCC(C)CN1C(C)C
InChIInChI=1S/C11H23NS/c1-9(2)12-7-10(3)5-6-11(12)8-13-4/h9-11H,5-8H2,1-4H3
InChIKeyZCYCGLQQGAGEQH-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine

5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine (PubChem CID 71221062) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine
PubChem CID71221062
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine
SMILESCSCC1CCC(C)CN1C(C)C
InChIInChI=1S/C11H23NS/c1-9(2)12-7-10(3)5-6-11(12)8-13-4/h9-11H,5-8H2,1-4H3
InChIKeyZCYCGLQQGAGEQH-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine (CID 71221062) is 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine is CSCC1CCC(C)CN1C(C)C.
What is the InChIKey of 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine?
The InChIKey is ZCYCGLQQGAGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)12-7-10(3)5-6-11(12)8-13-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine?
5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 71221062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).