N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide

C10H19F2NO2S — CID 147598886

IUPACN-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide
SMILESCC[C@H]1CC[C@@H](N(CC(F)F)S(C)(=O)=O)C1
InChIInChI=1S/C10H19F2NO2S/c1-3-8-4-5-9(6-8)13(7-10(11)12)16(2,14)15/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyFZSVIXANTNSIHP-DTWKUNHWSA-N
MW255.33 g/mol
LogP2.09
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide

N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide (PubChem CID 147598886) has the molecular formula C10H19F2NO2S and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide
PubChem CID147598886
Molecular FormulaC10H19F2NO2S
Molecular Weight255.33 g/mol
Exact Mass255.11
IUPAC NameN-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide
SMILESCC[C@H]1CC[C@@H](N(CC(F)F)S(C)(=O)=O)C1
InChIInChI=1S/C10H19F2NO2S/c1-3-8-4-5-9(6-8)13(7-10(11)12)16(2,14)15/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyFZSVIXANTNSIHP-DTWKUNHWSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide (CID 147598886) is N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide is CC[C@H]1CC[C@@H](N(CC(F)F)S(C)(=O)=O)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide?
The InChIKey is FZSVIXANTNSIHP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19F2NO2S/c1-3-8-4-5-9(6-8)13(7-10(11)12)16(2,14)15/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide?
N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide has a molecular weight of 255.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide is sourced from PubChem (CID 147598886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).