4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine

C12H25NS — CID 135220068

IUPAC4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine
SMILESCS[C@H](C1CCN(C)CC1)C(C)(C)C
InChIInChI=1S/C12H25NS/c1-12(2,3)11(14-5)10-6-8-13(4)9-7-10/h10-11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyBESQSCOVHMTGOO-LLVKDONJSA-N
MW215.41 g/mol
LogP3.11
Rot. Bonds2

About 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine

4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine (PubChem CID 135220068) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine
PubChem CID135220068
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine
SMILESCS[C@H](C1CCN(C)CC1)C(C)(C)C
InChIInChI=1S/C12H25NS/c1-12(2,3)11(14-5)10-6-8-13(4)9-7-10/h10-11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyBESQSCOVHMTGOO-LLVKDONJSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine?
The IUPAC name of 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine (CID 135220068) is 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine?
The canonical SMILES for 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine is CS[C@H](C1CCN(C)CC1)C(C)(C)C.
What is the InChIKey of 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine?
The InChIKey is BESQSCOVHMTGOO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)11(14-5)10-6-8-13(4)9-7-10/h10-11H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine?
4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine has a molecular weight of 215.41 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-dimethyl-1-methylsulfanylpropyl]-1-methylpiperidine is sourced from PubChem (CID 135220068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).