2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine

C8H21N3O2S — CID 106251186

IUPAC2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NC
InChIInChI=1S/C8H21N3O2S/c1-4-8(5-2,6-9)7-11-14(12,13)10-3/h10-11H,4-7,9H2,1-3H3
InChIKeyXHRVICMNRGLRJP-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.19
Rot. Bonds7

About 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine

2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine (PubChem CID 106251186) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine
PubChem CID106251186
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NC
InChIInChI=1S/C8H21N3O2S/c1-4-8(5-2,6-9)7-11-14(12,13)10-3/h10-11H,4-7,9H2,1-3H3
InChIKeyXHRVICMNRGLRJP-UHFFFAOYSA-N
XLogP-0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine (CID 106251186) is 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine is CCC(CC)(CN)CNS(=O)(=O)NC.
What is the InChIKey of 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine?
The InChIKey is XHRVICMNRGLRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-4-8(5-2,6-9)7-11-14(12,13)10-3/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine?
2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(methylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 106251186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).