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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114164159
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
2,2-Diethylpropane-1,3-diamine;platinum(2+);sulfate
CID 88731048
2,2,4-Trimethyl-1-(sulfamoylamino)pentane
CID 89105586
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
4,4-Ditert-butyl-1,2,6-thiadiazinane 1,1-dioxide
CID 141681581
2,2-Dimethyl-1-(sulfamoylamino)butane
CID 103463711
1-Ethyl-1-[(sulfamoylamino)methyl]cyclopropane
CID 103736182
1-[[[3-Aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclopropane
CID 105692863
2,2-dimethyl-N-(2-methylpropylsulfamoyl)butane-1,4-diamine
CID 106141430
N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
CID 106141526

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).