2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine

C9H14N4O2S — CID 114804674

IUPAC2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(NS(=O)(=O)NC2CC2)ncc1N
InChIInChI=1S/C9H14N4O2S/c1-6-4-9(11-5-8(6)10)13-16(14,15)12-7-2-3-7/h4-5,7,12H,2-3,10H2,1H3,(H,11,13)
InChIKeyRYQAIDBDHUXEKL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.38
Rot. Bonds4

About 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine

2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine (PubChem CID 114804674) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine
PubChem CID114804674
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(NS(=O)(=O)NC2CC2)ncc1N
InChIInChI=1S/C9H14N4O2S/c1-6-4-9(11-5-8(6)10)13-16(14,15)12-7-2-3-7/h4-5,7,12H,2-3,10H2,1H3,(H,11,13)
InChIKeyRYQAIDBDHUXEKL-UHFFFAOYSA-N
XLogP0.38
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine (CID 114804674) is 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine is Cc1cc(NS(=O)(=O)NC2CC2)ncc1N.
What is the InChIKey of 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine?
The InChIKey is RYQAIDBDHUXEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-6-4-9(11-5-8(6)10)13-16(14,15)12-7-2-3-7/h4-5,7,12H,2-3,10H2,1H3,(H,11,13).
What are the key properties of 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine?
2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine has a molecular weight of 242.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 114804674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).