1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol

C12H23NO3S — CID 115276192

IUPAC1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)CCC(O)CN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H23NO3S/c1-12(2)8-7-10(14)9-13(12)17(15,16)11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyMDGYAIBPMOEUTF-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.49
Rot. Bonds2

About 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol

1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol (PubChem CID 115276192) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol
PubChem CID115276192
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)CCC(O)CN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H23NO3S/c1-12(2)8-7-10(14)9-13(12)17(15,16)11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyMDGYAIBPMOEUTF-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol
CID 115276188
1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one
CID 115275106
1-cyclohexylsulfonyl-4-methylazepan-4-ol
CID 107406961
4-cyclopentylsulfonyl-3,3-dimethylpiperazin-2-one
CID 115634074
2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 115269393
1-cyclopentylsulfonyl-4,4-dimethylpyrrolidin-3-amine
CID 165448574
5-ethyl-5-methylcyclononane-1-sulfonic acid
CID 91542049
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
2,2-dimethyl-1-methylsulfonylpiperidin-4-ol
CID 83702080
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
6,6-dimethylcycloundecane-1-sulfonyl chloride
CID 146618987
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol?
The IUPAC name of 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol (CID 115276192) is 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol?
The canonical SMILES for 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol is CC1(C)CCC(O)CN1S(=O)(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol?
The InChIKey is MDGYAIBPMOEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-12(2)8-7-10(14)9-13(12)17(15,16)11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol?
1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol has a molecular weight of 261.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 115276192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).