(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol

C10H21NOS — CID 166682729

IUPAC(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol
SMILESCSC(C)N1C[C@](C)(O)CC[C@H]1C
InChIInChI=1S/C10H21NOS/c1-8-5-6-10(3,12)7-11(8)9(2)13-4/h8-9,12H,5-7H2,1-4H3/t8-,9?,10-/m1/s1
InChIKeyDHQMLQWIVVQIQB-RCAUJQPQSA-N
MW203.35 g/mol
LogP1.93
Rot. Bonds2

About (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol

(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol (PubChem CID 166682729) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol
PubChem CID166682729
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol
SMILESCSC(C)N1C[C@](C)(O)CC[C@H]1C
InChIInChI=1S/C10H21NOS/c1-8-5-6-10(3,12)7-11(8)9(2)13-4/h8-9,12H,5-7H2,1-4H3/t8-,9?,10-/m1/s1
InChIKeyDHQMLQWIVVQIQB-RCAUJQPQSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol?
The IUPAC name of (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol (CID 166682729) is (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol.
What is the SMILES notation for (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol?
The canonical SMILES for (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol is CSC(C)N1C[C@](C)(O)CC[C@H]1C.
What is the InChIKey of (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol?
The InChIKey is DHQMLQWIVVQIQB-RCAUJQPQSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8-5-6-10(3,12)7-11(8)9(2)13-4/h8-9,12H,5-7H2,1-4H3/t8-,9?,10-/m1/s1.
What are the key properties of (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol?
(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol has a molecular weight of 203.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol is sourced from PubChem (CID 166682729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).