5,5-dimethyl-1-methylsulfonylpiperidin-3-ol

C8H17NO3S — CID 135055639

IUPAC5,5-dimethyl-1-methylsulfonylpiperidin-3-ol
SMILESCC1(C)CC(O)CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2)4-7(10)5-9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyMKEQXXCKFFFFQG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds1

About 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol

5,5-dimethyl-1-methylsulfonylpiperidin-3-ol (PubChem CID 135055639) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-methylsulfonylpiperidin-3-ol
PubChem CID135055639
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name5,5-dimethyl-1-methylsulfonylpiperidin-3-ol
SMILESCC1(C)CC(O)CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2)4-7(10)5-9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyMKEQXXCKFFFFQG-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpiperidin-3-ol
CID 17918031
2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
CID 70886776
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174
5-(Difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716175
(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 171582012
2-(2,2-Dimethylpropyl)-4-methylsulfonylmorpholine
CID 20792993
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
[1-(Hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol
CID 58959838
(4-Methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
1-(Propane-2-sulfonyl)piperidin-3-ol
CID 60864944
1-(1-Methylsulfonylpiperidin-4-yl)ethanol
CID 84067587
N-tert-butyl-N-(4-hydroxy-5,5-dimethylhexyl)methanesulfonamide
CID 88980543

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol (CID 135055639) is 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol is CC1(C)CC(O)CN(S(C)(=O)=O)C1.
What is the InChIKey of 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol?
The InChIKey is MKEQXXCKFFFFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2)4-7(10)5-9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol?
5,5-dimethyl-1-methylsulfonylpiperidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 135055639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).