4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid

C8H17NO4S — CID 103573992

IUPAC4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid
SMILESCC(C)N1CCC(O)(S(=O)(=O)O)CC1
InChIInChI=1S/C8H17NO4S/c1-7(2)9-5-3-8(10,4-6-9)14(11,12)13/h7,10H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySUBXXPJHIOAAMJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.07
Rot. Bonds2

About 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid

4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid (PubChem CID 103573992) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid
PubChem CID103573992
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid
SMILESCC(C)N1CCC(O)(S(=O)(=O)O)CC1
InChIInChI=1S/C8H17NO4S/c1-7(2)9-5-3-8(10,4-6-9)14(11,12)13/h7,10H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySUBXXPJHIOAAMJ-UHFFFAOYSA-N
XLogP0.07
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.07
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-fluoro-1-propan-2-ylpiperidine-4-sulfonamide
CID 126737674
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
CID 155039158
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine
CID 126752890
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
4-hydroxypiperidine-4-sulfonic acid
CID 103574103
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid?
The IUPAC name of 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid (CID 103573992) is 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid.
What is the SMILES notation for 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid?
The canonical SMILES for 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid is CC(C)N1CCC(O)(S(=O)(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid?
The InChIKey is SUBXXPJHIOAAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2)9-5-3-8(10,4-6-9)14(11,12)13/h7,10H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid?
4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid has a molecular weight of 223.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid is sourced from PubChem (CID 103573992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).