2,2-dimethyl-1-methylsulfonylpiperidin-4-ol

C8H17NO3S — CID 83702080

IUPAC2,2-dimethyl-1-methylsulfonylpiperidin-4-ol
SMILESCC1(C)CC(O)CCN1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2)6-7(10)4-5-9(8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyZFUZCHBMCXIIHH-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds1

About 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol

2,2-dimethyl-1-methylsulfonylpiperidin-4-ol (PubChem CID 83702080) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-methylsulfonylpiperidin-4-ol
PubChem CID83702080
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2,2-dimethyl-1-methylsulfonylpiperidin-4-ol
SMILESCC1(C)CC(O)CCN1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2)6-7(10)4-5-9(8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyZFUZCHBMCXIIHH-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol?
The IUPAC name of 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol (CID 83702080) is 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol.
What is the SMILES notation for 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol?
The canonical SMILES for 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol is CC1(C)CC(O)CCN1S(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol?
The InChIKey is ZFUZCHBMCXIIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2)6-7(10)4-5-9(8)13(3,11)12/h7,10H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol?
2,2-dimethyl-1-methylsulfonylpiperidin-4-ol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-methylsulfonylpiperidin-4-ol is sourced from PubChem (CID 83702080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).