N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide

C10H20F2N2O2S — CID 114384068

IUPACN-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H20F2N2O2S/c11-10(12,7-13)8-14-17(15,16)6-9-4-2-1-3-5-9/h9,14H,1-8,13H2
InChIKeySKHZETCMZJJHDY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.08
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide

N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide (PubChem CID 114384068) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide
PubChem CID114384068
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H20F2N2O2S/c11-10(12,7-13)8-14-17(15,16)6-9-4-2-1-3-5-9/h9,14H,1-8,13H2
InChIKeySKHZETCMZJJHDY-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide (CID 114384068) is N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide is NCC(F)(F)CNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is SKHZETCMZJJHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c11-10(12,7-13)8-14-17(15,16)6-9-4-2-1-3-5-9/h9,14H,1-8,13H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide?
N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 114384068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).