N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine

C12H27N3O2S — CID 43137026

IUPACN'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
SMILESCN(C)S(=O)(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-14(2)18(16,17)15(11-7-10-13)12-8-5-3-4-6-9-12/h12H,3-11,13H2,1-2H3
InChIKeyGXXBJMWUVOTKJP-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.17
Rot. Bonds6

About N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine

N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine (PubChem CID 43137026) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
PubChem CID43137026
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
SMILESCN(C)S(=O)(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-14(2)18(16,17)15(11-7-10-13)12-8-5-3-4-6-9-12/h12H,3-11,13H2,1-2H3
InChIKeyGXXBJMWUVOTKJP-UHFFFAOYSA-N
XLogP1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
CID 63766177
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
CID 102861380
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N'-cyclopropyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
CID 61455531
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 55242943
N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
CID 63245460
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83047751
N-(3-aminopropyl)-N-methylcyclohexanesulfonamide
CID 61065457

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine (CID 43137026) is N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine is CN(C)S(=O)(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
The InChIKey is GXXBJMWUVOTKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-14(2)18(16,17)15(11-7-10-13)12-8-5-3-4-6-9-12/h12H,3-11,13H2,1-2H3.
What are the key properties of N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine has a molecular weight of 277.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 43137026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).