3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide

C10H19ClN6O2S — CID 62863125

IUPAC3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide
SMILESCCN(CC)c1nc(Cl)nc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C10H19ClN6O2S/c1-3-17(4-2)10-15-8(11)14-9(16-10)13-6-5-7-20(12,18)19/h3-7H2,1-2H3,(H2,12,18,19)(H,13,14,15,16)
InChIKeyDIWGFFKWRYBXRT-UHFFFAOYSA-N
MW322.82 g/mol
LogP0.46
Rot. Bonds8

About 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide

3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide (PubChem CID 62863125) has the molecular formula C10H19ClN6O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide
PubChem CID62863125
Molecular FormulaC10H19ClN6O2S
Molecular Weight322.82 g/mol
Exact Mass322.10
IUPAC Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide
SMILESCCN(CC)c1nc(Cl)nc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C10H19ClN6O2S/c1-3-17(4-2)10-15-8(11)14-9(16-10)13-6-5-7-20(12,18)19/h3-7H2,1-2H3,(H2,12,18,19)(H,13,14,15,16)
InChIKeyDIWGFFKWRYBXRT-UHFFFAOYSA-N
XLogP0.46
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide (CID 62863125) is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide is CCN(CC)c1nc(Cl)nc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide?
The InChIKey is DIWGFFKWRYBXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN6O2S/c1-3-17(4-2)10-15-8(11)14-9(16-10)13-6-5-7-20(12,18)19/h3-7H2,1-2H3,(H2,12,18,19)(H,13,14,15,16).
What are the key properties of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide?
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide has a molecular weight of 322.82 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide is sourced from PubChem (CID 62863125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).