[(2S)-pyrrolidin-2-yl]methanesulfonic acid

C5H11NO3S — CID 10820933

IUPAC[(2S)-pyrrolidin-2-yl]methanesulfonic acid
SMILESO=S(=O)(O)C[C@@H]1CCCN1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)/t5-/m0/s1
InChIKeyJYFHRLOWRFUNPU-YFKPBYRVSA-N
MW165.21 g/mol
LogP-0.37
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]methanesulfonic acid

[(2S)-pyrrolidin-2-yl]methanesulfonic acid (PubChem CID 10820933) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methanesulfonic acid.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methanesulfonic acid
PubChem CID10820933
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name[(2S)-pyrrolidin-2-yl]methanesulfonic acid
SMILESO=S(=O)(O)C[C@@H]1CCCN1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)/t5-/m0/s1
InChIKeyJYFHRLOWRFUNPU-YFKPBYRVSA-N
XLogP-0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.37
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

(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 52326752
(Pyrrolidin-2-yl)methanesulfonamide hydrochloride
CID 132371509
Pyrrolidin-2-ylmethanesulfonamide
CID 54593028
N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 61546212
(Pyrrolidin-2-yl)methanesulfonyl fluoride hydrochloride
CID 165750927
2-Pyrrolidinemethanesulfonic acid
CID 4288291
(Pyrrolidin-3-yl)methanesulfonic acid
CID 12825659
Pyrrolidine-3-sulfonic acid
CID 19969115
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 11550355
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 15976469
3-(Cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 58691933

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methanesulfonic acid?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methanesulfonic acid (CID 10820933) is [(2S)-pyrrolidin-2-yl]methanesulfonic acid.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methanesulfonic acid?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methanesulfonic acid is O=S(=O)(O)C[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methanesulfonic acid?
The InChIKey is JYFHRLOWRFUNPU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)/t5-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methanesulfonic acid?
[(2S)-pyrrolidin-2-yl]methanesulfonic acid has a molecular weight of 165.21 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methanesulfonic acid is sourced from PubChem (CID 10820933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).