1-methyl-4-methylsulfanylpiperidine

C7H15NS — CID 54107306

IUPAC1-methyl-4-methylsulfanylpiperidine
SMILESCSC1CCN(C)CC1
InChIInChI=1S/C7H15NS/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3
InChIKeyNEQQUASRSKIJCS-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-4-methylsulfanylpiperidine

1-methyl-4-methylsulfanylpiperidine (PubChem CID 54107306) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-4-methylsulfanylpiperidine
PubChem CID54107306
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-methyl-4-methylsulfanylpiperidine
SMILESCSC1CCN(C)CC1
InChIInChI=1S/C7H15NS/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3
InChIKeyNEQQUASRSKIJCS-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfanylpiperidine?
The IUPAC name of 1-methyl-4-methylsulfanylpiperidine (CID 54107306) is 1-methyl-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-methyl-4-methylsulfanylpiperidine?
The canonical SMILES for 1-methyl-4-methylsulfanylpiperidine is CSC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-methylsulfanylpiperidine?
The InChIKey is NEQQUASRSKIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfanylpiperidine?
1-methyl-4-methylsulfanylpiperidine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanylpiperidine is sourced from PubChem (CID 54107306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).