3-hydroxy-1-methylpiperidine-3-sulfonic acid

C6H13NO4S — CID 103574051

IUPAC3-hydroxy-1-methylpiperidine-3-sulfonic acid
SMILESCN1CCCC(O)(S(=O)(=O)O)C1
InChIInChI=1S/C6H13NO4S/c1-7-4-2-3-6(8,5-7)12(9,10)11/h8H,2-5H2,1H3,(H,9,10,11)
InChIKeyPUHFAHPZNZCOSM-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.71
Rot. Bonds1

About 3-hydroxy-1-methylpiperidine-3-sulfonic acid

3-hydroxy-1-methylpiperidine-3-sulfonic acid (PubChem CID 103574051) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-hydroxy-1-methylpiperidine-3-sulfonic acid.

Molecular Properties

Compound Name3-hydroxy-1-methylpiperidine-3-sulfonic acid
PubChem CID103574051
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-hydroxy-1-methylpiperidine-3-sulfonic acid
SMILESCN1CCCC(O)(S(=O)(=O)O)C1
InChIInChI=1S/C6H13NO4S/c1-7-4-2-3-6(8,5-7)12(9,10)11/h8H,2-5H2,1H3,(H,9,10,11)
InChIKeyPUHFAHPZNZCOSM-UHFFFAOYSA-N
XLogP-0.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methylazepane-4-sulfonic acid
CID 103573942
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
(3-acetyl-1-methylpiperidin-3-yl)methanesulfonyl chloride
CID 58964387
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124638982
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid
CID 103573992
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
N,1,3-trimethylpiperidin-3-amine
CID 82594451
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
3-(ethylamino)-1-methylpiperidin-3-ol
CID 70384279
(6R,11R)-2-methyl-2-azaspiro[5.5]undecan-11-ol
CID 10986949

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methylpiperidine-3-sulfonic acid?
The IUPAC name of 3-hydroxy-1-methylpiperidine-3-sulfonic acid (CID 103574051) is 3-hydroxy-1-methylpiperidine-3-sulfonic acid.
What is the SMILES notation for 3-hydroxy-1-methylpiperidine-3-sulfonic acid?
The canonical SMILES for 3-hydroxy-1-methylpiperidine-3-sulfonic acid is CN1CCCC(O)(S(=O)(=O)O)C1.
What is the InChIKey of 3-hydroxy-1-methylpiperidine-3-sulfonic acid?
The InChIKey is PUHFAHPZNZCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-7-4-2-3-6(8,5-7)12(9,10)11/h8H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 3-hydroxy-1-methylpiperidine-3-sulfonic acid?
3-hydroxy-1-methylpiperidine-3-sulfonic acid has a molecular weight of 195.24 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methylpiperidine-3-sulfonic acid is sourced from PubChem (CID 103574051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).