2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol

C10H21NO3S — CID 115275974

IUPAC2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol
SMILESCC(C)S(=O)(=O)N1CCC(O)CC1(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)11-6-5-9(12)7-10(11,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyVQCGGXRPTWJAGU-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds2

About 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol

2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol (PubChem CID 115275974) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol
PubChem CID115275974
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol
SMILESCC(C)S(=O)(=O)N1CCC(O)CC1(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)11-6-5-9(12)7-10(11,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyVQCGGXRPTWJAGU-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
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-propan-2-ylsulfonylpiperidin-4-ol?
The IUPAC name of 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol (CID 115275974) is 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol?
The canonical SMILES for 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol is CC(C)S(=O)(=O)N1CCC(O)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol?
The InChIKey is VQCGGXRPTWJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)15(13,14)11-6-5-9(12)7-10(11,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol?
2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-ylsulfonylpiperidin-4-ol is sourced from PubChem (CID 115275974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).