cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride

C5H12ClNO3S — CID 45265056

IUPACcis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride
SMILESCl.N[C@H]1CCC[C@H]1S(=O)(=O)O
InChIInChI=1S/C5H11NO3S.ClH/c6-4-2-1-3-5(4)10(7,8)9;/h4-5H,1-3,6H2,(H,7,8,9);1H/t4-,5+;/m0./s1
InChIKeySPDQFTLVZGZLDY-UYXJWNHNSA-N
MW201.67 g/mol
LogP0.18
Rot. Bonds1

About cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride

cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride (PubChem CID 45265056) has the molecular formula C5H12ClNO3S and a molecular weight of 201.67 g/mol. Its IUPAC name is cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride
PubChem CID45265056
Molecular FormulaC5H12ClNO3S
Molecular Weight201.67 g/mol
Exact Mass201.02
IUPAC Namecis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride
SMILESCl.N[C@H]1CCC[C@H]1S(=O)(=O)O
InChIInChI=1S/C5H11NO3S.ClH/c6-4-2-1-3-5(4)10(7,8)9;/h4-5H,1-3,6H2,(H,7,8,9);1H/t4-,5+;/m0./s1
InChIKeySPDQFTLVZGZLDY-UYXJWNHNSA-N
XLogP0.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 50.18
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 cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride (CID 45265056) is cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride is Cl.N[C@H]1CCC[C@H]1S(=O)(=O)O.
What is the InChIKey of cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride?
The InChIKey is SPDQFTLVZGZLDY-UYXJWNHNSA-N. The full InChI is InChI=1S/C5H11NO3S.ClH/c6-4-2-1-3-5(4)10(7,8)9;/h4-5H,1-3,6H2,(H,7,8,9);1H/t4-,5+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride?
cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-aminocyclopentane-1-sulfonic acid;hydrochloride is sourced from PubChem (CID 45265056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).