N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine

C11H27N3O2S — CID 106251175

IUPACN'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H27N3O2S/c1-6-11(7-2,8-12)9-13-17(15,16)14-10(3,4)5/h13-14H,6-9,12H2,1-5H3
InChIKeyAELAWDJPBREZGV-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.97
Rot. Bonds7

About N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine

N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine (PubChem CID 106251175) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
PubChem CID106251175
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC NameN'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H27N3O2S/c1-6-11(7-2,8-12)9-13-17(15,16)14-10(3,4)5/h13-14H,6-9,12H2,1-5H3
InChIKeyAELAWDJPBREZGV-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
CID 106251055
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-difluorobenzenesulfonamide
CID 106251271

Frequently Asked Questions

What is the IUPAC name of N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine (CID 106251175) is N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is AELAWDJPBREZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-6-11(7-2,8-12)9-13-17(15,16)14-10(3,4)5/h13-14H,6-9,12H2,1-5H3.
What are the key properties of N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 265.42 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 106251175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).