3,3-dimethyl-5-methylsulfanylpiperidine

C8H17NS — CID 146514881

IUPAC3,3-dimethyl-5-methylsulfanylpiperidine
SMILESCSC1CNCC(C)(C)C1
InChIInChI=1S/C8H17NS/c1-8(2)4-7(10-3)5-9-6-8/h7,9H,4-6H2,1-3H3
InChIKeyXHNYKMNOBWCVAT-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds1

About 3,3-dimethyl-5-methylsulfanylpiperidine

3,3-dimethyl-5-methylsulfanylpiperidine (PubChem CID 146514881) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylsulfanylpiperidine.

Molecular Properties

Compound Name3,3-dimethyl-5-methylsulfanylpiperidine
PubChem CID146514881
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3,3-dimethyl-5-methylsulfanylpiperidine
SMILESCSC1CNCC(C)(C)C1
InChIInChI=1S/C8H17NS/c1-8(2)4-7(10-3)5-9-6-8/h7,9H,4-6H2,1-3H3
InChIKeyXHNYKMNOBWCVAT-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 3,3-dimethyl-5-methylsulfanylpiperidine?
The IUPAC name of 3,3-dimethyl-5-methylsulfanylpiperidine (CID 146514881) is 3,3-dimethyl-5-methylsulfanylpiperidine.
What is the SMILES notation for 3,3-dimethyl-5-methylsulfanylpiperidine?
The canonical SMILES for 3,3-dimethyl-5-methylsulfanylpiperidine is CSC1CNCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-5-methylsulfanylpiperidine?
The InChIKey is XHNYKMNOBWCVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2)4-7(10-3)5-9-6-8/h7,9H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-methylsulfanylpiperidine?
3,3-dimethyl-5-methylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylsulfanylpiperidine is sourced from PubChem (CID 146514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).