1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol

C11H23NO3S — CID 115276188

IUPAC1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)CCC(O)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2,3)16(14,15)12-8-9(13)6-7-11(12,4)5/h9,13H,6-8H2,1-5H3
InChIKeyACACGVWNITZLSN-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.35
Rot. Bonds1

About 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol

1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol (PubChem CID 115276188) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol
PubChem CID115276188
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)CCC(O)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2,3)16(14,15)12-8-9(13)6-7-11(12,4)5/h9,13H,6-8H2,1-5H3
InChIKeyACACGVWNITZLSN-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol?
The IUPAC name of 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol (CID 115276188) is 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol?
The canonical SMILES for 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol is CC1(C)CCC(O)CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol?
The InChIKey is ACACGVWNITZLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2,3)16(14,15)12-8-9(13)6-7-11(12,4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol?
1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol has a molecular weight of 249.38 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 115276188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).