N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide

C10H20F2N2O2S — CID 43137019

IUPACN-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c11-10(12)17(15,16)14(8-4-7-13)9-5-2-1-3-6-9/h9-10H,1-8,13H2
InChIKeyIYQQSJVITBHNDO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.52
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide

N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide (PubChem CID 43137019) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
PubChem CID43137019
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c11-10(12)17(15,16)14(8-4-7-13)9-5-2-1-3-6-9/h9-10H,1-8,13H2
InChIKeyIYQQSJVITBHNDO-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83047751
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N-(3-aminopropyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068235
N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 79111941
propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate
CID 114461157
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide (CID 43137019) is N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide is NCCCN(C1CCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The InChIKey is IYQQSJVITBHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c11-10(12)17(15,16)14(8-4-7-13)9-5-2-1-3-6-9/h9-10H,1-8,13H2.
What are the key properties of N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43137019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).