3,5-diaminopentane-1-sulfonic acid

C5H14N2O3S — CID 87163288

IUPAC3,5-diaminopentane-1-sulfonic acid
SMILESNCCC(N)CCS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c6-3-1-5(7)2-4-11(8,9)10/h5H,1-4,6-7H2,(H,8,9,10)
InChIKeyCCNMGGATLHITHQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP-1.06
Rot. Bonds5

About 3,5-diaminopentane-1-sulfonic acid

3,5-diaminopentane-1-sulfonic acid (PubChem CID 87163288) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is 3,5-diaminopentane-1-sulfonic acid.

Molecular Properties

Compound Name3,5-diaminopentane-1-sulfonic acid
PubChem CID87163288
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name3,5-diaminopentane-1-sulfonic acid
SMILESNCCC(N)CCS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c6-3-1-5(7)2-4-11(8,9)10/h5H,1-4,6-7H2,(H,8,9,10)
InChIKeyCCNMGGATLHITHQ-UHFFFAOYSA-N
XLogP-1.06
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3,5-diaminopentane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-diaminoheptane-1-sulfonic acid
CID 175135376
3-amino-6-hydroxyhexane-1-sulfonic acid
CID 54526006
(3S)-3-amino-4-[[(2S)-2-amino-4-sulfobutyl]disulfanyl]butane-1-sulfonic acid
CID 24851355
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699
octane-1,3,6,8-tetramine
CID 18680656
CID 87787087
CID 87787087
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
2-aminoethanesulfonic acid;λ2-plumbane
CID 173327992
2-aminoethanesulfonic acid;iron
CID 174379186
2-amino-3-[(2-amino-4-sulfobutyl)disulfanyl]propanoic acid
CID 175609780
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
2-aminoethanesulfonic acid;deuterium monohydride
CID 175205944

Frequently Asked Questions

What is the IUPAC name of 3,5-diaminopentane-1-sulfonic acid?
The IUPAC name of 3,5-diaminopentane-1-sulfonic acid (CID 87163288) is 3,5-diaminopentane-1-sulfonic acid.
What is the SMILES notation for 3,5-diaminopentane-1-sulfonic acid?
The canonical SMILES for 3,5-diaminopentane-1-sulfonic acid is NCCC(N)CCS(=O)(=O)O.
What is the InChIKey of 3,5-diaminopentane-1-sulfonic acid?
The InChIKey is CCNMGGATLHITHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c6-3-1-5(7)2-4-11(8,9)10/h5H,1-4,6-7H2,(H,8,9,10).
What are the key properties of 3,5-diaminopentane-1-sulfonic acid?
3,5-diaminopentane-1-sulfonic acid has a molecular weight of 182.24 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diaminopentane-1-sulfonic acid is sourced from PubChem (CID 87163288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).