[3-aminobutylsulfamoyl(methyl)amino]cyclohexane

C11H25N3O2S — CID 63253809

IUPAC[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
SMILESCC(N)CCNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(12)8-9-13-17(15,16)14(2)11-6-4-3-5-7-11/h10-11,13H,3-9,12H2,1-2H3
InChIKeyJUKCJUQPEHDXGA-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds6

About [3-aminobutylsulfamoyl(methyl)amino]cyclohexane

[3-aminobutylsulfamoyl(methyl)amino]cyclohexane (PubChem CID 63253809) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is [3-aminobutylsulfamoyl(methyl)amino]cyclohexane.

Molecular Properties

Compound Name[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
PubChem CID63253809
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
SMILESCC(N)CCNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(12)8-9-13-17(15,16)14(2)11-6-4-3-5-7-11/h10-11,13H,3-9,12H2,1-2H3
InChIKeyJUKCJUQPEHDXGA-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 43606374
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 113282568
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
N-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 61247247
4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
CID 107487788
[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504

Frequently Asked Questions

What is the IUPAC name of [3-aminobutylsulfamoyl(methyl)amino]cyclohexane?
The IUPAC name of [3-aminobutylsulfamoyl(methyl)amino]cyclohexane (CID 63253809) is [3-aminobutylsulfamoyl(methyl)amino]cyclohexane.
What is the SMILES notation for [3-aminobutylsulfamoyl(methyl)amino]cyclohexane?
The canonical SMILES for [3-aminobutylsulfamoyl(methyl)amino]cyclohexane is CC(N)CCNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [3-aminobutylsulfamoyl(methyl)amino]cyclohexane?
The InChIKey is JUKCJUQPEHDXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(12)8-9-13-17(15,16)14(2)11-6-4-3-5-7-11/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of [3-aminobutylsulfamoyl(methyl)amino]cyclohexane?
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminobutylsulfamoyl(methyl)amino]cyclohexane is sourced from PubChem (CID 63253809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).