1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol

C8H17NO4S — CID 131137856

IUPAC1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
SMILESCC1C(O)CCCN1S(=O)(=O)CCO
InChIInChI=1S/C8H17NO4S/c1-7-8(11)3-2-4-9(7)14(12,13)6-5-10/h7-8,10-11H,2-6H2,1H3
InChIKeyCHTMIHPIYLVAPG-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.85
Rot. Bonds3

About 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol

1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol (PubChem CID 131137856) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
PubChem CID131137856
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
SMILESCC1C(O)CCCN1S(=O)(=O)CCO
InChIInChI=1S/C8H17NO4S/c1-7-8(11)3-2-4-9(7)14(12,13)6-5-10/h7-8,10-11H,2-6H2,1H3
InChIKeyCHTMIHPIYLVAPG-UHFFFAOYSA-N
XLogP-0.85
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
CID 130979047
(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
CID 130610281
1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 79589293
(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol
CID 130654150
2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543937
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol
CID 104967953
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
CID 83085659
(2S,3S)-1-(2-ethoxyethylsulfonyl)-2-methylpiperidine-3-carboxylic acid
CID 122105232
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
CID 63666234

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol?
The IUPAC name of 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol (CID 131137856) is 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol is CC1C(O)CCCN1S(=O)(=O)CCO.
What is the InChIKey of 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol?
The InChIKey is CHTMIHPIYLVAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7-8(11)3-2-4-9(7)14(12,13)6-5-10/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol?
1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol has a molecular weight of 223.29 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol is sourced from PubChem (CID 131137856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).