N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide

C9H18F2N2O2S — CID 118308227

IUPACN-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@H]1CC(F)(F)C[C@@H]1N
InChIInChI=1S/C9H18F2N2O2S/c1-8(2,3)16(14,15)13-7-5-9(10,11)4-6(7)12/h6-7,13H,4-5,12H2,1-3H3/t6-,7-/m0/s1
InChIKeyKAERCXSUTOLGFD-BQBZGAKWSA-N
MW256.32 g/mol
LogP0.83
Rot. Bonds2

About N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide

N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide (PubChem CID 118308227) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
PubChem CID118308227
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@H]1CC(F)(F)C[C@@H]1N
InChIInChI=1S/C9H18F2N2O2S/c1-8(2,3)16(14,15)13-7-5-9(10,11)4-6(7)12/h6-7,13H,4-5,12H2,1-3H3/t6-,7-/m0/s1
InChIKeyKAERCXSUTOLGFD-BQBZGAKWSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide (CID 118308227) is N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@H]1CC(F)(F)C[C@@H]1N.
What is the InChIKey of N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is KAERCXSUTOLGFD-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-8(2,3)16(14,15)13-7-5-9(10,11)4-6(7)12/h6-7,13H,4-5,12H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 118308227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).