3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide

C8H14N4O2S — CID 104533999

IUPAC3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
SMILESNc1cncc(NCCCS(N)(=O)=O)c1
InChIInChI=1S/C8H14N4O2S/c9-7-4-8(6-11-5-7)12-2-1-3-15(10,13)14/h4-6,12H,1-3,9H2,(H2,10,13,14)
InChIKeyOPMIDQVSINWUFU-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.25
Rot. Bonds5

About 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide

3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide (PubChem CID 104533999) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
PubChem CID104533999
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
SMILESNc1cncc(NCCCS(N)(=O)=O)c1
InChIInChI=1S/C8H14N4O2S/c9-7-4-8(6-11-5-7)12-2-1-3-15(10,13)14/h4-6,12H,1-3,9H2,(H2,10,13,14)
InChIKeyOPMIDQVSINWUFU-UHFFFAOYSA-N
XLogP-0.25
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
5-N-decylpyridine-3,5-diamine
CID 104535317
5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
CID 104534054
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
2-[(5-amino-3-pyridinyl)amino]ethanol;hydrochloride
CID 175403125
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine
CID 104534747
5-N-ethylpyridine-3,5-diamine
CID 104532571
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide (CID 104533999) is 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide is Nc1cncc(NCCCS(N)(=O)=O)c1.
What is the InChIKey of 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide?
The InChIKey is OPMIDQVSINWUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c9-7-4-8(6-11-5-7)12-2-1-3-15(10,13)14/h4-6,12H,1-3,9H2,(H2,10,13,14).
What are the key properties of 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide?
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 104533999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).