4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol

C7H15NO4S — CID 130490728

IUPAC4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(CO)CC1
InChIInChI=1S/C7H15NO4S/c1-13(11,12)8-4-2-7(10,6-9)3-5-8/h9-10H,2-6H2,1H3
InChIKeySRJNSKQKIABVIS-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.23
Rot. Bonds2

About 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol

4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol (PubChem CID 130490728) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
PubChem CID130490728
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(CO)CC1
InChIInChI=1S/C7H15NO4S/c1-13(11,12)8-4-2-7(10,6-9)3-5-8/h9-10H,2-6H2,1H3
InChIKeySRJNSKQKIABVIS-UHFFFAOYSA-N
XLogP-1.23
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
2-(4-hydroxy-1-methylsulfonylpiperidin-4-yl)acetaldehyde
CID 118435774
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 63005066
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-(2,6-dichlorophenyl)sulfonyl-4-(hydroxymethyl)azepan-4-ol
CID 56908943
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310
ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 163233842

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol (CID 130490728) is 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol is CS(=O)(=O)N1CCC(O)(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol?
The InChIKey is SRJNSKQKIABVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-13(11,12)8-4-2-7(10,6-9)3-5-8/h9-10H,2-6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol?
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol has a molecular weight of 209.27 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol is sourced from PubChem (CID 130490728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).