3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol

C11H25N3O3S — CID 102861380

IUPAC3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
SMILESCN(CCCN)S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H25N3O3S/c1-13(8-3-7-12)18(16,17)14(9-4-10-15)11-5-2-6-11/h11,15H,2-10,12H2,1H3
InChIKeyIWGUEZGXKPIMKP-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.25
Rot. Bonds9

About 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol

3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol (PubChem CID 102861380) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
PubChem CID102861380
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
SMILESCN(CCCN)S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H25N3O3S/c1-13(8-3-7-12)18(16,17)14(9-4-10-15)11-5-2-6-11/h11,15H,2-10,12H2,1H3
InChIKeyIWGUEZGXKPIMKP-UHFFFAOYSA-N
XLogP-0.25
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 78974166
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N'-cyclopropyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
CID 61455531
N'-cyclopentyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
CID 63766177
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 55242943
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806

Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol (CID 102861380) is 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol is CN(CCCN)S(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol?
The InChIKey is IWGUEZGXKPIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-13(8-3-7-12)18(16,17)14(9-4-10-15)11-5-2-6-11/h11,15H,2-10,12H2,1H3.
What are the key properties of 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol?
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol has a molecular weight of 279.41 g/mol, XLogP of -0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102861380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).