2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine

C9H16N4O2S — CID 114804966

IUPAC2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine
SMILESCC(C)(C)NS(=O)(=O)Nc1ncccc1N
InChIInChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)12-8-7(10)5-4-6-11-8/h4-6,13H,10H2,1-3H3,(H,11,12)
InChIKeySMXQXSHZCBPUMT-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.71
Rot. Bonds3

About 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine

2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine (PubChem CID 114804966) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine
PubChem CID114804966
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine
SMILESCC(C)(C)NS(=O)(=O)Nc1ncccc1N
InChIInChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)12-8-7(10)5-4-6-11-8/h4-6,13H,10H2,1-3H3,(H,11,12)
InChIKeySMXQXSHZCBPUMT-UHFFFAOYSA-N
XLogP0.71
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine (CID 114804966) is 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine is CC(C)(C)NS(=O)(=O)Nc1ncccc1N.
What is the InChIKey of 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine?
The InChIKey is SMXQXSHZCBPUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)12-8-7(10)5-4-6-11-8/h4-6,13H,10H2,1-3H3,(H,11,12).
What are the key properties of 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine?
2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine has a molecular weight of 244.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(tert-butylsulfamoyl)pyridine-2,3-diamine is sourced from PubChem (CID 114804966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).