2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine

C12H22N4O2S — CID 106082471

IUPAC2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C12H22N4O2S/c1-3-8-13-9-6-11-16(2)19(17,18)15-12-7-4-5-10-14-12/h4-5,7,10,13H,3,6,8-9,11H2,1-2H3,(H,14,15)
InChIKeyRFKDBRBNUNSOJT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.06
Rot. Bonds9

About 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine

2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (PubChem CID 106082471) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.

Molecular Properties

Compound Name2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
PubChem CID106082471
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C12H22N4O2S/c1-3-8-13-9-6-11-16(2)19(17,18)15-12-7-4-5-10-14-12/h4-5,7,10,13H,3,6,8-9,11H2,1-2H3,(H,14,15)
InChIKeyRFKDBRBNUNSOJT-UHFFFAOYSA-N
XLogP1.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The IUPAC name of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (CID 106082471) is 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.
What is the SMILES notation for 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The canonical SMILES for 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is CCCNCCCN(C)S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The InChIKey is RFKDBRBNUNSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-8-13-9-6-11-16(2)19(17,18)15-12-7-4-5-10-14-12/h4-5,7,10,13H,3,6,8-9,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine has a molecular weight of 286.40 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is sourced from PubChem (CID 106082471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).