1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol

C14H21NO3S — CID 143885509

IUPAC1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol
SMILESCC1(C)C=CC=C(S(=O)(=O)N2CCC(O)CC2)C=C1
InChIInChI=1S/C14H21NO3S/c1-14(2)8-3-4-13(5-9-14)19(17,18)15-10-6-12(16)7-11-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeyLFFUZZYAHUEPSN-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.81
Rot. Bonds2

About 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol

1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol (PubChem CID 143885509) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol
PubChem CID143885509
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol
SMILESCC1(C)C=CC=C(S(=O)(=O)N2CCC(O)CC2)C=C1
InChIInChI=1S/C14H21NO3S/c1-14(2)8-3-4-13(5-9-14)19(17,18)15-10-6-12(16)7-11-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeyLFFUZZYAHUEPSN-UHFFFAOYSA-N
XLogP1.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol (CID 143885509) is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol is CC1(C)C=CC=C(S(=O)(=O)N2CCC(O)CC2)C=C1.
What is the InChIKey of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol?
The InChIKey is LFFUZZYAHUEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2)8-3-4-13(5-9-14)19(17,18)15-10-6-12(16)7-11-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3.
What are the key properties of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol?
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol has a molecular weight of 283.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 143885509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).