N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide

C14H28N2O2S — CID 102874325

IUPACN-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
SMILESNCCCN(C1CCC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H28N2O2S/c15-10-5-11-16(14-8-4-9-14)19(17,18)12-13-6-2-1-3-7-13/h13-14H,1-12,15H2
InChIKeyMOPJINSFGYBGHB-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.10
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide

N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide (PubChem CID 102874325) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
PubChem CID102874325
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
SMILESNCCCN(C1CCC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H28N2O2S/c15-10-5-11-16(14-8-4-9-14)19(17,18)12-13-6-2-1-3-7-13/h13-14H,1-12,15H2
InChIKeyMOPJINSFGYBGHB-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83047751
N-(3-aminopropyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068235
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
CID 63245460
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
CID 62062243

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide (CID 102874325) is N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide is NCCCN(C1CCC1)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide?
The InChIKey is MOPJINSFGYBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c15-10-5-11-16(14-8-4-9-14)19(17,18)12-13-6-2-1-3-7-13/h13-14H,1-12,15H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide?
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 102874325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).