[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid

C7H15NO5S2 — CID 150122899

IUPAC[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid
SMILESCS(=O)(=O)N[C@@H]1CCC[C@@H]1CS(=O)(=O)O
InChIInChI=1S/C7H15NO5S2/c1-14(9,10)8-7-4-2-3-6(7)5-15(11,12)13/h6-8H,2-5H2,1H3,(H,11,12,13)/t6-,7-/m1/s1
InChIKeyDZPWBZAQTSIGER-RNFRBKRXSA-N
MW257.33 g/mol
LogP-0.41
Rot. Bonds4

About [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid

[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid (PubChem CID 150122899) has the molecular formula C7H15NO5S2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid.

Molecular Properties

Compound Name[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid
PubChem CID150122899
Molecular FormulaC7H15NO5S2
Molecular Weight257.33 g/mol
Exact Mass257.04
IUPAC Name[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid
SMILESCS(=O)(=O)N[C@@H]1CCC[C@@H]1CS(=O)(=O)O
InChIInChI=1S/C7H15NO5S2/c1-14(9,10)8-7-4-2-3-6(7)5-15(11,12)13/h6-8H,2-5H2,1H3,(H,11,12,13)/t6-,7-/m1/s1
InChIKeyDZPWBZAQTSIGER-RNFRBKRXSA-N
XLogP-0.41
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.41
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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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid?
The IUPAC name of [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid (CID 150122899) is [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid.
What is the SMILES notation for [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid?
The canonical SMILES for [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid is CS(=O)(=O)N[C@@H]1CCC[C@@H]1CS(=O)(=O)O.
What is the InChIKey of [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid?
The InChIKey is DZPWBZAQTSIGER-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO5S2/c1-14(9,10)8-7-4-2-3-6(7)5-15(11,12)13/h6-8H,2-5H2,1H3,(H,11,12,13)/t6-,7-/m1/s1.
What are the key properties of [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid?
[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid has a molecular weight of 257.33 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(methanesulfonamido)cyclopentyl]methanesulfonic acid is sourced from PubChem (CID 150122899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).