3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide

C11H20N4O2S — CID 113367731

IUPAC3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
SMILESCCCNc1cc(NCCCS(N)(=O)=O)ccn1
InChIInChI=1S/C11H20N4O2S/c1-2-5-14-11-9-10(4-7-15-11)13-6-3-8-18(12,16)17/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyDIZQRBBKWOIHMW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.99
Rot. Bonds8

About 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide

3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide (PubChem CID 113367731) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
PubChem CID113367731
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
SMILESCCCNc1cc(NCCCS(N)(=O)=O)ccn1
InChIInChI=1S/C11H20N4O2S/c1-2-5-14-11-9-10(4-7-15-11)13-6-3-8-18(12,16)17/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyDIZQRBBKWOIHMW-UHFFFAOYSA-N
XLogP0.99
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.99
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

4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
3-[(2-chloropyrimidin-4-yl)amino]propane-1-sulfonamide
CID 62342869
1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine
CID 107604542
5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 114922642
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
2-methyl-N-propylpyridin-4-amine
CID 79240818
4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
CID 107638611
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide (CID 113367731) is 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide is CCCNc1cc(NCCCS(N)(=O)=O)ccn1.
What is the InChIKey of 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide?
The InChIKey is DIZQRBBKWOIHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-5-14-11-9-10(4-7-15-11)13-6-3-8-18(12,16)17/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide?
3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide is sourced from PubChem (CID 113367731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).