2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine

C10H25N3O2S — CID 114803673

IUPAC2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H25N3O2S/c1-6-10(7-2,8-11)13-16(14,15)12-9(3,4)5/h12-13H,6-8,11H2,1-5H3
InChIKeySKOLBZUAZVGLSV-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.73
Rot. Bonds6

About 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine

2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine (PubChem CID 114803673) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine
PubChem CID114803673
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H25N3O2S/c1-6-10(7-2,8-11)13-16(14,15)12-9(3,4)5/h12-13H,6-8,11H2,1-5H3
InChIKeySKOLBZUAZVGLSV-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.73
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
3,3-Di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 58964382
2,2-dimethyl-N-(2-methylbutan-2-ylsulfamoyl)butan-1-amine
CID 123410974
N-(tert-butylsulfamoyl)butan-1-amine
CID 127506138
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-(diethylsulfamoylamino)-2-methylbutane
CID 61135406
1-Amino-2-(dimethylsulfamoylamino)-2-methylbutane
CID 61135802

Frequently Asked Questions

What is the IUPAC name of 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine (CID 114803673) is 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine is CCC(CC)(CN)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine?
The InChIKey is SKOLBZUAZVGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-6-10(7-2,8-11)13-16(14,15)12-9(3,4)5/h12-13H,6-8,11H2,1-5H3.
What are the key properties of 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine?
2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(tert-butylsulfamoyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 114803673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).