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

C9H18F2N2O2S — CID 125487334

IUPACN-[(1R,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-NKWVEPMBSA-N
MW256.32 g/mol
LogP0.83
Rot. Bonds2

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

N-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide (PubChem CID 125487334) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
PubChem CID125487334
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(1R,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-NKWVEPMBSA-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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Related Compounds

N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 67439421
N-(2-Amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
CID 118308166
N-[(1S,2S)-2-Amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 118308227
N-[(1S,2R)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 118308228
N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294963
N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 129294972
N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 163825829
N-(2-aminocyclopentyl)-1,1,1-trifluoromethanesulfonamide
CID 22925241
N-(2-aminocyclopentyl)-1,1-difluoromethanesulfonamide
CID 63252125
N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 82903856
N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059574
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide (CID 125487334) is N-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1R,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-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is KAERCXSUTOLGFD-NKWVEPMBSA-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-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
N-[(1R,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-[(1R,2S)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 125487334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).