3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine

C10H18N4O2S — CID 79042089

IUPAC3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
SMILESCc1ncccc1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H18N4O2S/c1-9-10(5-3-7-12-9)13-17(15,16)14(2)8-4-6-11/h3,5,7,13H,4,6,8,11H2,1-2H3
InChIKeyNKGKVIUSRDLEJK-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.33
Rot. Bonds6

About 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine

3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine (PubChem CID 79042089) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine.

Molecular Properties

Compound Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
PubChem CID79042089
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
SMILESCc1ncccc1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H18N4O2S/c1-9-10(5-3-7-12-9)13-17(15,16)14(2)8-4-6-11/h3,5,7,13H,4,6,8,11H2,1-2H3
InChIKeyNKGKVIUSRDLEJK-UHFFFAOYSA-N
XLogP0.33
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine?
The IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine (CID 79042089) is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine.
What is the SMILES notation for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine?
The canonical SMILES for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine is Cc1ncccc1NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine?
The InChIKey is NKGKVIUSRDLEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-9-10(5-3-7-12-9)13-17(15,16)14(2)8-4-6-11/h3,5,7,13H,4,6,8,11H2,1-2H3.
What are the key properties of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine?
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine has a molecular weight of 258.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine is sourced from PubChem (CID 79042089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).