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

C9H23N3O2S — CID 106251183

IUPAC2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine
SMILESCCNS(=O)(=O)NCC(CC)(CC)CN
InChIInChI=1S/C9H23N3O2S/c1-4-9(5-2,7-10)8-12-15(13,14)11-6-3/h11-12H,4-8,10H2,1-3H3
InChIKeyFNFSZGSAMZEUNN-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.20
Rot. Bonds8

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

2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine (PubChem CID 106251183) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine
PubChem CID106251183
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine
SMILESCCNS(=O)(=O)NCC(CC)(CC)CN
InChIInChI=1S/C9H23N3O2S/c1-4-9(5-2,7-10)8-12-15(13,14)11-6-3/h11-12H,4-8,10H2,1-3H3
InChIKeyFNFSZGSAMZEUNN-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
3-[(Dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane
CID 58124476
2,2-Diethylpropane-1,3-diamine;platinum(2+);sulfate
CID 88731048
1-(Dimethylsulfamoylamino)-3,3-dimethylbutane
CID 89148999
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
2,2-dimethyl-N-(2-methylbutan-2-ylsulfamoyl)butan-1-amine
CID 123410974
1-Amino-3,3-dimethyl-5-[methyl(sulfamoyl)amino]pentane
CID 141231013
4,4-Ditert-butyl-1,2,6-thiadiazinane 1,1-dioxide
CID 141681581
1-[[3-Aminopropyl(methyl)sulfamoyl]amino]-2,2-dimethylbutane
CID 103461067
2,2-Dimethyl-1-(sulfamoylamino)butane
CID 103463711

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine (CID 106251183) is 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine is CCNS(=O)(=O)NCC(CC)(CC)CN.
What is the InChIKey of 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine?
The InChIKey is FNFSZGSAMZEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-4-9(5-2,7-10)8-12-15(13,14)11-6-3/h11-12H,4-8,10H2,1-3H3.
What are the key properties of 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine?
2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 106251183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).