trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid

C5H11NO3S — CID 12970179

IUPACtrans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid
SMILESN[C@H]1CCC[C@@H]1S(=O)(=O)O
InChIInChI=1S/C5H11NO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3,6H2,(H,7,8,9)/t4-,5-/m0/s1
InChIKeyDNTFEAHNXKUSKQ-WHFBIAKZSA-N
MW165.21 g/mol
LogP-0.25
Rot. Bonds1

About trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid

trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid (PubChem CID 12970179) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid
PubChem CID12970179
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Nametrans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid
SMILESN[C@H]1CCC[C@@H]1S(=O)(=O)O
InChIInChI=1S/C5H11NO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3,6H2,(H,7,8,9)/t4-,5-/m0/s1
InChIKeyDNTFEAHNXKUSKQ-WHFBIAKZSA-N
XLogP-0.25
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.25
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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid?
The IUPAC name of trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid (CID 12970179) is trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid?
The canonical SMILES for trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid is N[C@H]1CCC[C@@H]1S(=O)(=O)O.
What is the InChIKey of trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid?
The InChIKey is DNTFEAHNXKUSKQ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11NO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3,6H2,(H,7,8,9)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid?
trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid has a molecular weight of 165.21 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocyclopentane-1-sulfonic acid is sourced from PubChem (CID 12970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).