1,5-diaminopentane-2-sulfonic acid

C5H14N2O3S — CID 130176465

IUPAC1,5-diaminopentane-2-sulfonic acid
SMILESNCCCC(CN)S(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c6-3-1-2-5(4-7)11(8,9)10/h5H,1-4,6-7H2,(H,8,9,10)
InChIKeyHNFJXGKARZTDBS-UHFFFAOYSA-N
MW182.24 g/mol
LogP-1.06
Rot. Bonds5

About 1,5-diaminopentane-2-sulfonic acid

1,5-diaminopentane-2-sulfonic acid (PubChem CID 130176465) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1,5-diaminopentane-2-sulfonic acid.

Molecular Properties

Compound Name1,5-diaminopentane-2-sulfonic acid
PubChem CID130176465
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name1,5-diaminopentane-2-sulfonic acid
SMILESNCCCC(CN)S(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c6-3-1-2-5(4-7)11(8,9)10/h5H,1-4,6-7H2,(H,8,9,10)
InChIKeyHNFJXGKARZTDBS-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'}

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Related Compounds

1,6-diaminohexane-3-sulfonic acid
CID 19767334
1-aminopentadecane-2-sulfonic acid
CID 19067551
1-aminopentane-2-sulfonic acid
CID 88729087
2,6-diamino-5-sulfohexanoic acid
CID 174656340
6,7-diaminoheptane-1,4-disulfonic acid
CID 19862454
1-amino-3-methoxypropane-2-sulfonic acid
CID 87311399
1-amino-4-hydroxypentane-2-sulfonic acid
CID 150612541
nonane-5-sulfonic acid
CID 22325204
13-aminotridecane-2-sulfonic acid
CID 142636781
(2S)-2,5-diaminopentanoic acid;sulfuric acid;hydrate
CID 175762973
bis((2S)-2,5-diaminopentanoic acid);sulfuric acid;hydrate
CID 131850163
butane-1,4-diamine;methanesulfonic acid
CID 160759082

Frequently Asked Questions

What is the IUPAC name of 1,5-diaminopentane-2-sulfonic acid?
The IUPAC name of 1,5-diaminopentane-2-sulfonic acid (CID 130176465) is 1,5-diaminopentane-2-sulfonic acid.
What is the SMILES notation for 1,5-diaminopentane-2-sulfonic acid?
The canonical SMILES for 1,5-diaminopentane-2-sulfonic acid is NCCCC(CN)S(=O)(=O)O.
What is the InChIKey of 1,5-diaminopentane-2-sulfonic acid?
The InChIKey is HNFJXGKARZTDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c6-3-1-2-5(4-7)11(8,9)10/h5H,1-4,6-7H2,(H,8,9,10).
What are the key properties of 1,5-diaminopentane-2-sulfonic acid?
1,5-diaminopentane-2-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 1,5-diaminopentane-2-sulfonic acid is sourced from PubChem (CID 130176465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).