2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine

C9H23N3O2S — CID 167288359

IUPAC2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine
SMILESCC(CN)NS(=O)(=O)NC(C)(C)C(C)C
InChIInChI=1S/C9H23N3O2S/c1-7(2)9(4,5)12-15(13,14)11-8(3)6-10/h7-8,11-12H,6,10H2,1-5H3
InChIKeyZOGBPTQAGCHUGM-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.19
Rot. Bonds6

About 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine

2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine (PubChem CID 167288359) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine
PubChem CID167288359
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine
SMILESCC(CN)NS(=O)(=O)NC(C)(C)C(C)C
InChIInChI=1S/C9H23N3O2S/c1-7(2)9(4,5)12-15(13,14)11-8(3)6-10/h7-8,11-12H,6,10H2,1-5H3
InChIKeyZOGBPTQAGCHUGM-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine (CID 167288359) is 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine is CC(CN)NS(=O)(=O)NC(C)(C)C(C)C.
What is the InChIKey of 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine?
The InChIKey is ZOGBPTQAGCHUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-7(2)9(4,5)12-15(13,14)11-8(3)6-10/h7-8,11-12H,6,10H2,1-5H3.
What are the key properties of 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine?
2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine is sourced from PubChem (CID 167288359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).