[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane

C12H27N3O2S — CID 114812758

IUPAC[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane
SMILESCC(C)(C)NS(=O)(=O)N(CCN)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)14-18(16,17)15(10-9-13)11-7-5-4-6-8-11/h11,14H,4-10,13H2,1-3H3
InChIKeyXTVBAEYHKITLFN-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.21
Rot. Bonds5

About [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane

[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane (PubChem CID 114812758) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane
PubChem CID114812758
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane
SMILESCC(C)(C)NS(=O)(=O)N(CCN)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)14-18(16,17)15(10-9-13)11-7-5-4-6-8-11/h11,14H,4-10,13H2,1-3H3
InChIKeyXTVBAEYHKITLFN-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-aminoethyl(methylsulfamoyl)amino]cyclohexane
CID 114812756
[2-aminoethyl(propan-2-ylsulfamoyl)amino]cyclopropane
CID 114803735
[2-aminoethyl(propylsulfamoyl)amino]cyclopropane
CID 114803736
N'-cyclopentyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
CID 63766177
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 55242943
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
3-[tert-butylsulfamoyl(ethyl)amino]piperidine
CID 114805078
ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
CID 114811557
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide
CID 63765615

Frequently Asked Questions

What is the IUPAC name of [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane?
The IUPAC name of [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane (CID 114812758) is [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane?
The canonical SMILES for [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane is CC(C)(C)NS(=O)(=O)N(CCN)C1CCCCC1.
What is the InChIKey of [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane?
The InChIKey is XTVBAEYHKITLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2,3)14-18(16,17)15(10-9-13)11-7-5-4-6-8-11/h11,14H,4-10,13H2,1-3H3.
What are the key properties of [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane?
[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114812758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).