2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine

C9H23N3O2S — CID 114803670

IUPAC2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NC(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-9(6-2,7-10)12-15(13,14)11-8(3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyCWVHUMHVBDEJIZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.34
Rot. Bonds7

About 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine

2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine (PubChem CID 114803670) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine
PubChem CID114803670
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NC(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-9(6-2,7-10)12-15(13,14)11-8(3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyCWVHUMHVBDEJIZ-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803669
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
N-(tert-butylsulfamoyl)butan-1-amine
CID 127506138
methane;3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 160582271
2-N-(2,3-dimethylbutan-2-ylsulfamoyl)propane-1,2-diamine
CID 167288359
N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide
CID 61123188
3-(Aminomethyl)-3-(dimethylsulfamoylamino)pentane
CID 61123565
3-(Aminomethyl)-3-(diethylsulfamoylamino)pentane
CID 61124579
1-Amino-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61455408

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine (CID 114803670) is 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine is CCC(CC)(CN)NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine?
The InChIKey is CWVHUMHVBDEJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-5-9(6-2,7-10)12-15(13,14)11-8(3)4/h8,11-12H,5-7,10H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine?
2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114803670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).