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

C5H9N3O3S — CID 101028855

IUPACtrans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H]1S(=O)(=O)O
InChIInChI=1S/C5H9N3O3S/c6-8-7-4-2-1-3-5(4)12(9,10)11/h4-5H,1-3H2,(H,9,10,11)/t4-,5-/m0/s1
InChIKeyUYTZOLDCTANPHH-WHFBIAKZSA-N
MW191.21 g/mol
LogP1.11
Rot. Bonds2

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

trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid (PubChem CID 101028855) has the molecular formula C5H9N3O3S and a molecular weight of 191.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid
PubChem CID101028855
Molecular FormulaC5H9N3O3S
Molecular Weight191.21 g/mol
Exact Mass191.04
IUPAC Nametrans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H]1S(=O)(=O)O
InChIInChI=1S/C5H9N3O3S/c6-8-7-4-2-1-3-5(4)12(9,10)11/h4-5H,1-3H2,(H,9,10,11)/t4-,5-/m0/s1
InChIKeyUYTZOLDCTANPHH-WHFBIAKZSA-N
XLogP1.11
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
CID 11469195
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide
CID 58201083
2-chlorocyclopentane-1-sulfonic acid
CID 23054186
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
(2-azidocyclopentyl)-phenylmethoxymethanesulfonic acid
CID 175367891
2,5-diazidocyclopentan-1-ol
CID 85255446
1-azido-2-hydroperoxycyclododecane
CID 176903012
2-formylcyclopentane-1-sulfonic acid
CID 175442125
[(1R,2R)-2-azidocyclohexyl] carbonochloridate
CID 91623762

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid?
The IUPAC name of trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid (CID 101028855) is trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid.
What is the SMILES notation for trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid?
The canonical SMILES for trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid is [N-]=[N+]=N[C@H]1CCC[C@@H]1S(=O)(=O)O.
What is the InChIKey of trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid?
The InChIKey is UYTZOLDCTANPHH-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H9N3O3S/c6-8-7-4-2-1-3-5(4)12(9,10)11/h4-5H,1-3H2,(H,9,10,11)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid?
trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid has a molecular weight of 191.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid is sourced from PubChem (CID 101028855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).