1-aminopentane-2-sulfonic acid

C5H13NO3S — CID 88729087

IUPAC1-aminopentane-2-sulfonic acid
SMILESCCCC(CN)S(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-2-3-5(4-6)10(7,8)9/h5H,2-4,6H2,1H3,(H,7,8,9)
InChIKeyWVAIKPHCVPRXHX-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.00
Rot. Bonds4

About 1-aminopentane-2-sulfonic acid

1-aminopentane-2-sulfonic acid (PubChem CID 88729087) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-aminopentane-2-sulfonic acid.

Molecular Properties

Compound Name1-aminopentane-2-sulfonic acid
PubChem CID88729087
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name1-aminopentane-2-sulfonic acid
SMILESCCCC(CN)S(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-2-3-5(4-6)10(7,8)9/h5H,2-4,6H2,1H3,(H,7,8,9)
InChIKeyWVAIKPHCVPRXHX-UHFFFAOYSA-N
XLogP0.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.00
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

1-aminopentadecane-2-sulfonic acid
CID 19067551
1,5-diaminopentane-2-sulfonic acid
CID 130176465
nonane-5-sulfonic acid
CID 22325204
2,6-diamino-5-sulfohexanoic acid
CID 174656340
1-amino-3-methoxypropane-2-sulfonic acid
CID 87311399
1-amino-4-hydroxypentane-2-sulfonic acid
CID 150612541
sodium;hexadecane-4,7-disulfonic acid;hydride
CID 174804373
1-amino-4-oxohenicosane-2-sulfonic acid
CID 18681316
1-(dibutylamino)heptane-4-sulfonic acid
CID 141360225
6-ethyldecane-4-sulfonic acid
CID 142743561
tritetracontane-14-sulfonic acid
CID 151699628
2-heptan-4-ylsulfonylethanamine
CID 142872402

Frequently Asked Questions

What is the IUPAC name of 1-aminopentane-2-sulfonic acid?
The IUPAC name of 1-aminopentane-2-sulfonic acid (CID 88729087) is 1-aminopentane-2-sulfonic acid.
What is the SMILES notation for 1-aminopentane-2-sulfonic acid?
The canonical SMILES for 1-aminopentane-2-sulfonic acid is CCCC(CN)S(=O)(=O)O.
What is the InChIKey of 1-aminopentane-2-sulfonic acid?
The InChIKey is WVAIKPHCVPRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-2-3-5(4-6)10(7,8)9/h5H,2-4,6H2,1H3,(H,7,8,9).
What are the key properties of 1-aminopentane-2-sulfonic acid?
1-aminopentane-2-sulfonic acid has a molecular weight of 167.23 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentane-2-sulfonic acid is sourced from PubChem (CID 88729087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).