pyrrolidine-3-sulfonic acid

C4H9NO3S — CID 19969115

IUPACpyrrolidine-3-sulfonic acid
SMILESO=S(=O)(O)C1CCNC1
InChIInChI=1S/C4H9NO3S/c6-9(7,8)4-1-2-5-3-4/h4-5H,1-3H2,(H,6,7,8)
InChIKeyCQXPKCLOHLADCJ-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.76
Rot. Bonds1

About pyrrolidine-3-sulfonic acid

pyrrolidine-3-sulfonic acid (PubChem CID 19969115) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is pyrrolidine-3-sulfonic acid.

Molecular Properties

Compound Namepyrrolidine-3-sulfonic acid
PubChem CID19969115
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Namepyrrolidine-3-sulfonic acid
SMILESO=S(=O)(O)C1CCNC1
InChIInChI=1S/C4H9NO3S/c6-9(7,8)4-1-2-5-3-4/h4-5H,1-3H2,(H,6,7,8)
InChIKeyCQXPKCLOHLADCJ-UHFFFAOYSA-N
XLogP-0.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Pyrrolidine-1-sulfonyl)ethanamine hydrochloride
CID 45074879
3-(Methylsulfonyl)pyrrolidine
CID 3419356
3-(Methylamino)propane-1-sulfonic acid
CID 20504852
Pyrrolidine-3-sulfonamide
CID 45792639
Pyrrolidine-3-sulfonamide hydrochloride
CID 155858501
2-(Butylamino)ethanesulphonic acid
CID 87147
2-(Pyrrolidin-1-ylsulfonyl)ethanamine
CID 1133629
(S)-Pyrrolidin-2-ylmethanesulfonic acid
CID 10820933
N-ethylpyrrolidine-3-sulfonamide
CID 65419394
Pyrrolidine-3-sulfonyl fluoride hydrochloride
CID 132344065
(3S)-pyrrolidine-3-sulfonamide hydrochloride
CID 165653342
(R)-Pyrrolidine-3-sulfonamide hydrochloride
CID 165710021

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3-sulfonic acid?
The IUPAC name of pyrrolidine-3-sulfonic acid (CID 19969115) is pyrrolidine-3-sulfonic acid.
What is the SMILES notation for pyrrolidine-3-sulfonic acid?
The canonical SMILES for pyrrolidine-3-sulfonic acid is O=S(=O)(O)C1CCNC1.
What is the InChIKey of pyrrolidine-3-sulfonic acid?
The InChIKey is CQXPKCLOHLADCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c6-9(7,8)4-1-2-5-3-4/h4-5H,1-3H2,(H,6,7,8).
What are the key properties of pyrrolidine-3-sulfonic acid?
pyrrolidine-3-sulfonic acid has a molecular weight of 151.19 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3-sulfonic acid is sourced from PubChem (CID 19969115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).